Journal Description
Molbank
Molbank
is an international, peer-reviewed, open access journal comprised of a unique collection of one-compound-per-paper short notes on synthetic compounds and natural products published quarterly online by MDPI.
- Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
- High Visibility: indexed within Scopus, ESCI (Web of Science), Reaxys, CAPlus / SciFinder, and other databases.
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 14.7 days after submission; acceptance to publication is undertaken in 2.8 days (median values for papers published in this journal in the first half of 2025).
- Recognition of Reviewers: reviewers who provide timely, thorough peer-review reports receive vouchers entitling them to a discount on the APC of their next publication in any MDPI journal, in appreciation of the work done.
Impact Factor:
0.4 (2024)
Latest Articles
5-(2-Methylsulfanylethyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
Molbank 2025, 2025(3), M2057; https://doi.org/10.3390/M2057 - 4 Sep 2025
Abstract
►
Show Figures
An amino acid-derived 2-thiohydantoin, 5-(2-methylsulfanylethyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one, obtained from l-methionine, was synthesized in a two-step reaction protocol with allyl isothiocyanate. The compound was obtained in an 82% yield and was fully structurally characterized by NMR and IR spectroscopy. The crystal structure, molecular packing, and
[...] Read more.
An amino acid-derived 2-thiohydantoin, 5-(2-methylsulfanylethyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one, obtained from l-methionine, was synthesized in a two-step reaction protocol with allyl isothiocyanate. The compound was obtained in an 82% yield and was fully structurally characterized by NMR and IR spectroscopy. The crystal structure, molecular packing, and intermolecular interactions were characterized by X-ray diffraction analysis.
Full article
Open AccessShort Note
3-([4-(Acetylamino)phenyl]methoxy-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic Acid
by
Kathryn N. Mayeaux, Bailey N. Baxter, Hannah K. Lawley, Caleb N. Lopansri, Mary Helene Marmande, Lucy A. Orr and David C. Forbes
Molbank 2025, 2025(3), M2056; https://doi.org/10.3390/M2056 - 30 Aug 2025
Abstract
Overexpression of protein phosphatase 5 (PP5) is linked to tumor cell growth, making it a candidate for small-molecule drug therapy. Since the PP2A domain has been selectively inhibited using functionalized scaffolds that maximize contacts, a similar approach is proposed to work for PP5.
[...] Read more.
Overexpression of protein phosphatase 5 (PP5) is linked to tumor cell growth, making it a candidate for small-molecule drug therapy. Since the PP2A domain has been selectively inhibited using functionalized scaffolds that maximize contacts, a similar approach is proposed to work for PP5. As cantharidin’s demethylated cousin, norcantharidin, is a potent but unselective phosphatase inhibitor that can be prepared in just two synthetic steps, the bicyclic scaffold holds promise as an attractive target upon functionalization. Our hypothesis targets PP5 selectivity through derivatives of norcantharidin with functionalized attachments for optimal active-site binding. The methodology offers a promising platform for developing PP5-selective anticancer therapeutics. The approach reported herein exploits anhydride reactivity to yield a carboxylic acid derivative as our next-generation inhibitor of PP5. The methodology offers groundwork for future optimization of norcantharidin-based drug candidates with improved tumor selectivity, potency, and synthetic feasibility.
Full article
(This article belongs to the Section Organic Synthesis and Biosynthesis)
►▼
Show Figures

Figure 1
Open AccessCommunication
Synthesis of Ethyl (S)-3-(1-Methyl-2-Oxo-Cyclohexyl)-2-Oxopropanoate Through Stereoselective Michael Addition
by
Domenico C. M. Albanese and Nicoletta Gaggero
Molbank 2025, 2025(3), M2055; https://doi.org/10.3390/M2055 - 28 Aug 2025
Abstract
►▼
Show Figures
A practical four-step sequence for the synthesis of α,δ-dioxoesters with high enantiomeric excess was developed. It makes use of a regio- and stereoselective Michael addition of a chiral ketimine to ethyl 2-(phenylthio)-2-propenoate as a key transformation. The synthetic elaboration of the Michael adduct
[...] Read more.
A practical four-step sequence for the synthesis of α,δ-dioxoesters with high enantiomeric excess was developed. It makes use of a regio- and stereoselective Michael addition of a chiral ketimine to ethyl 2-(phenylthio)-2-propenoate as a key transformation. The synthetic elaboration of the Michael adduct provides the new ethyl 3-(1-methyl-2-oxo-cyclohexyl)-2-oxopropanoate, bearing a quaternary stereocenter with 95% ee and high yield.
Full article

Graphical abstract
Open AccessCommunication
Synthesis of Novel Spiro-Isoxazolidine Derivatives of 9α-Hydroxyparthenolide
by
Mohamed Zaki, Mohammed Loubidi and Sabine Berteina-Raboin
Molbank 2025, 2025(3), M2054; https://doi.org/10.3390/M2054 - 28 Aug 2025
Abstract
►▼
Show Figures
The 1,3-dipolar cycloaddition reaction was applied to 9α-hydroxyparthenolide, an important sesquiterpene component of Anvillea radiata that was extracted directly from plant material collected in Morocco. Several new spiro-isoxazolidine derivatives were generated on the B-ring of 9α-hydroxyparthenolide (α-methylene-γ-butyrolactone (1)) by 1,3-dipolar cycloaddition
[...] Read more.
The 1,3-dipolar cycloaddition reaction was applied to 9α-hydroxyparthenolide, an important sesquiterpene component of Anvillea radiata that was extracted directly from plant material collected in Morocco. Several new spiro-isoxazolidine derivatives were generated on the B-ring of 9α-hydroxyparthenolide (α-methylene-γ-butyrolactone (1)) by 1,3-dipolar cycloaddition of its exocyclic double bond with various nitrones. These compounds were fully characterized by spectroscopic methods.
Full article

Figure 1
Open AccessShort Note
1H,1H,7H-Dodecafluoroheptyl Pentafluorobenzoate
by
Sofia S. Kascheeva, Anastasiya V. Lastovka, Andrey S. Vinogradov and Dmitriy A. Parkhomenko
Molbank 2025, 2025(3), M2053; https://doi.org/10.3390/M2053 - 27 Aug 2025
Abstract
Polyfluoroarenes are widely used in organic synthesis because they readily undergo nucleophilic substitution reactions. This reactivity prompted us to report the synthesis and spectroscopic characterization of a new compound, 1H,1H,7H-dodecafluoroheptyl pentafluorobenzoate, obtained via three different approaches starting from pentafluorobenzoic acid and 1H,1H,7H-dodecafluoroheptanol.
Full article
(This article belongs to the Section Organic Synthesis and Biosynthesis)
►▼
Show Figures

Scheme 1
Open AccessCommunication
4,4′-Bis(1-(4-nitrophenyl)-2-(2,4,6-trinitrophenyl)hydrazineyl)-1,1′-biphenyl and Its Corresponding Stable Diradical
by
Miron T. Caproiu and Petre Ionita
Molbank 2025, 2025(3), M2045; https://doi.org/10.3390/M2045 - 26 Aug 2025
Abstract
►▼
Show Figures
Starting with DPPH-diradical, the corresponding dinitro-derivative was obtained in a biphasic system using solid sodium nitrite and 15-crown-5 ether as the nitrating reagents. The new compound was characterized using 1H- and 13C-NMR, IR, and UV-Vis. After undergoing oxidation, a new stable diradical was
[...] Read more.
Starting with DPPH-diradical, the corresponding dinitro-derivative was obtained in a biphasic system using solid sodium nitrite and 15-crown-5 ether as the nitrating reagents. The new compound was characterized using 1H- and 13C-NMR, IR, and UV-Vis. After undergoing oxidation, a new stable diradical was obtained, and this was characterized using ESR, IR, and UV-Vis. This process demonstrates that the well-known chemistry based on DPPH can be extended to DPPH-diradical.
Full article

Figure 1
Open AccessShort Note
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,2,2-trichloroacetamido)benzamide
by
Plamen Penchev and Dimitar Stoitsov
Molbank 2025, 2025(3), M2052; https://doi.org/10.3390/M2052 - 25 Aug 2025
Abstract
The structure of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,2,2-trichloroacetamido)benzamide was verified by using a combination of 1D and 2D NMR techniques. Fully assigned data from 1D NMR (1H, 13C and DEPT 135) and 2D NMR (COSY, HMQC, HMBC) spectra was presented for
[...] Read more.
The structure of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,2,2-trichloroacetamido)benzamide was verified by using a combination of 1D and 2D NMR techniques. Fully assigned data from 1D NMR (1H, 13C and DEPT 135) and 2D NMR (COSY, HMQC, HMBC) spectra was presented for the compound. The 1H NMR spectrum of the ABX spin system in the benzodioxol moiety was simulated to predict the corresponding nJHH coupling constants. The spectral assignments for the structure were supported by interpretive library search and HOSE predictions.
Full article
(This article belongs to the Section Structure Determination)
►▼
Show Figures

Figure 1
attachment
Supplementary material:
Supplementary File 1 (ZIP, 1658 KB)
Supplementary File 2 (MOL, 1 KB)
Supplementary File 3 (INCHI, 487 B)
Supplementary File 4 (MOL, 1 KB)
Supplementary File 5 (MOL, 1 KB)
Supplementary File 6 (INCHI, 462 B)
Supplementary File 7 (MOL, 1 KB)
Supplementary File 8 (MOL, 1 KB)
Supplementary File 9 (INCHI, 474 B)
Supplementary File 10 (MOL, 1 KB)
Supplementary File 1 (ZIP, 1658 KB)
Supplementary File 2 (MOL, 1 KB)
Supplementary File 3 (INCHI, 487 B)
Supplementary File 4 (MOL, 1 KB)
Supplementary File 5 (MOL, 1 KB)
Supplementary File 6 (INCHI, 462 B)
Supplementary File 7 (MOL, 1 KB)
Supplementary File 8 (MOL, 1 KB)
Supplementary File 9 (INCHI, 474 B)
Supplementary File 10 (MOL, 1 KB)
Open AccessCommunication
Three Hypoxanthine Derivatives from the Marine Cyanobacterium Okeania hirsuta
by
Ryoya Kawabe, Botao Zhang, Ryuichi Watanabe, Hajime Uchida, Masayuki Satake and Hiroshi Nagai
Molbank 2025, 2025(3), M2051; https://doi.org/10.3390/M2051 - 21 Aug 2025
Abstract
Three novel hypoxanthine derivatives (1–3) were obtained from the Okinawan cyanobacterium Okeania hirsuta. The structures of these compounds were elucidated mainly based on the spectroscopic data, including 1D and 2D NMR, as well as high-resolution mass spectrometry. In
[...] Read more.
Three novel hypoxanthine derivatives (1–3) were obtained from the Okinawan cyanobacterium Okeania hirsuta. The structures of these compounds were elucidated mainly based on the spectroscopic data, including 1D and 2D NMR, as well as high-resolution mass spectrometry. In particular, the amounts of obtained compounds 2 and 3 were only 200 μg and much less than 50 μg, respectively. Therefore, some carbons signals could not be observed on 13C NMR spectra of these compounds. However, the detailed analysis of HSQC and HMBC spectra allowed us to elucidate their structures. For NMR measurements of compound 3, it was found that using an 800 MHz NMR machine equipped with a cryogenic probe and acetic acid-d4 as a solvent is essential. Compounds (1–3) were N-3′-carbonylbutyl group-connected hypoxanthines.
Full article
(This article belongs to the Section Natural Product Chemistry)
►▼
Show Figures

Figure 1
Open AccessShort Note
5-[2-(4-Chlorophenyl)-2-oxoethyl]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
by
Nazar Trotsko
Molbank 2025, 2025(3), M2049; https://doi.org/10.3390/M2049 - 20 Aug 2025
Abstract
►▼
Show Figures
Rhodanine derivatives, as a subtype of thiazolidin-4-ones, represent an important class of heterocyclic compound known for their broad spectrum of biological activities and practical applications. In this short note, the synthesis of a new compound, 5-[2-(4-chlorophenyl)-2-oxoethyl]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one, is described. The target molecule was synthesized
[...] Read more.
Rhodanine derivatives, as a subtype of thiazolidin-4-ones, represent an important class of heterocyclic compound known for their broad spectrum of biological activities and practical applications. In this short note, the synthesis of a new compound, 5-[2-(4-chlorophenyl)-2-oxoethyl]-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one, is described. The target molecule was synthesized via a thia-Michael addition followed by cyclocondensation. Its structure was confirmed by 1H and 13C NMR spectroscopy and further supported by 2D NMR studies.
Full article

Figure 1
attachment
Supplementary material:
Supplementary File 1 (ZIP, 2278 KB)
Supplementary File 2 (MOL, 3 KB)
Supplementary File 3 (INCHI, 890 B)
Supplementary File 4 (MOL, 3 KB)
Supplementary File 5 (MOL, 3 KB)
Supplementary File 6 (INCHI, 908 B)
Supplementary File 7 (MOL, 3 KB)
Supplementary File 8 (MOL, 3 KB)
Supplementary File 9 (INCHI, 1 KB)
Supplementary File 10 (MOL, 3 KB)
Supplementary File 11 (MOL, 4 KB)
Supplementary File 12 (INCHI, 1 KB)
Supplementary File 13 (MOL, 4 KB)
Supplementary File 1 (ZIP, 2278 KB)
Supplementary File 2 (MOL, 3 KB)
Supplementary File 3 (INCHI, 890 B)
Supplementary File 4 (MOL, 3 KB)
Supplementary File 5 (MOL, 3 KB)
Supplementary File 6 (INCHI, 908 B)
Supplementary File 7 (MOL, 3 KB)
Supplementary File 8 (MOL, 3 KB)
Supplementary File 9 (INCHI, 1 KB)
Supplementary File 10 (MOL, 3 KB)
Supplementary File 11 (MOL, 4 KB)
Supplementary File 12 (INCHI, 1 KB)
Supplementary File 13 (MOL, 4 KB)
Open AccessCommunication
Synthesis of a New Bioconjugate Steroid Pyridinium Salt Derived from Allopregnanolone Acetate
by
Hisami Rodríguez-Matsui, J. Luis Sánchez-Juárez, Vladimir Carranza-Téllez, Joel L. Terán, Jesús Sandoval-Ramirez and Alan Carrasco-Carballo
Molbank 2025, 2025(3), M2050; https://doi.org/10.3390/M2050 - 20 Aug 2025
Abstract
►▼
Show Figures
Because allopregnanolone and derivatives represent biologically active molecules, in this letter, we present the synthesis of a new bioconjugate steroid pyridinium salt derived from allopregnanolone in three steps. The key steps involve the formation of the hydrazone intermediate, followed by condensation with bromoacetyl
[...] Read more.
Because allopregnanolone and derivatives represent biologically active molecules, in this letter, we present the synthesis of a new bioconjugate steroid pyridinium salt derived from allopregnanolone in three steps. The key steps involve the formation of the hydrazone intermediate, followed by condensation with bromoacetyl bromide and subsequent coupling with pyridine to generate the pyridinium bromide salt. The new bioconjugate steroid pyridinium salt, 4, was fully characterized by proton and carbon nuclear magnetic resonance (1H and 13C NMR) spectroscopy, mass spectrometry (MS), and Fourier transform infrared spectroscopy (FTIR). 1H-NMR analysis revealed the presence of a dynamic rotameric mixture in a 7:3 ratio of Z/E amide conformers, which were identified by a 2D NOESY experiment.
Full article

Figure 1
Open AccessShort Note
4-(1,3-Dioxoisoindolin-2-yl)butyl(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylate
by
Zihan Chen, Ka Fai Leong, Carmine Coluccini and Paolo Coghi
Molbank 2025, 2025(3), M2048; https://doi.org/10.3390/M2048 - 19 Aug 2025
Abstract
►▼
Show Figures
In this report, we describe the synthesis of a compound derived from the natural compound celastrol, which is connected to a phthalimide moiety via an ester linkage. The compound was fully characterized by proton (1H), carbon-13 (13C), heteronuclear single-quantum
[...] Read more.
In this report, we describe the synthesis of a compound derived from the natural compound celastrol, which is connected to a phthalimide moiety via an ester linkage. The compound was fully characterized by proton (1H), carbon-13 (13C), heteronuclear single-quantum coherence (HSQC), and distortionless enhancement by polarization transfer (DEPT) NMR. Ultraviolet–visible spectroscopy (UV-Vis), Fourier-transform infrared (FTIR), and elementary analysis were also performed.
Full article

Figure 1
Open AccessShort Note
5-((3′,5′-Dibromo-[2,2′-bithiophen]-5-yl)methyl)-3-ethyl-2-thioxothiazolidin-4-one∙Br2 (1:1)
by
Enrico Podda, Simone Acca, Maria Carla Aragoni, Vito Lippolis, Anna Pintus, Massimiliano Arca and Giuseppe Sforazzini
Molbank 2025, 2025(3), M2047; https://doi.org/10.3390/M2047 - 14 Aug 2025
Abstract
The reaction of rhodanine vinyl bithiophene (BTR) with molecular dibromine (Br2) resulted in the formation of compound 1. Single-crystal X-ray diffraction analysis revealed bromination of the terminal thiophenyl ring and the formation of a 1:1 CT “spoke” adduct between the
[...] Read more.
The reaction of rhodanine vinyl bithiophene (BTR) with molecular dibromine (Br2) resulted in the formation of compound 1. Single-crystal X-ray diffraction analysis revealed bromination of the terminal thiophenyl ring and the formation of a 1:1 CT “spoke” adduct between the rhodanine thiocarbonyl group and a neutral dibromine (Br2) molecule.
Full article
(This article belongs to the Section Structure Determination)
►▼
Show Figures

Figure 1
Open AccessShort Note
Methyl α-d-Tagatopyranoside
by
Yiming Hu, Akihiro Iyoshi, Masakazu Tanaka and Atsushi Ueda
Molbank 2025, 2025(3), M2046; https://doi.org/10.3390/M2046 - 14 Aug 2025
Cited by 1
Abstract
►▼
Show Figures
d-Tagatose, classified as a rare sugar, exhibits notable biological activities, including its function as a low-calorie sweetener. The three-dimensional configuration of carbohydrates is crucial for elucidating their functional properties. Numerous studies have reported the X-ray crystallographic structures of d-tagatose and its
[...] Read more.
d-Tagatose, classified as a rare sugar, exhibits notable biological activities, including its function as a low-calorie sweetener. The three-dimensional configuration of carbohydrates is crucial for elucidating their functional properties. Numerous studies have reported the X-ray crystallographic structures of d-tagatose and its derivatives bearing a free anomeric hydroxy group. However, there are no reports on the X-ray crystallographic structure of d-tagatosides featuring a glycosidic linkage at the anomeric position. In this study, we synthesized methyl α-d-tagatopyranoside from d-tagatose and successfully determined its X-ray crystallographic structure, revealing its 5C2 conformation.
Full article

Figure 1
Open AccessShort Note
Bis(4-((E)-3,5–Diacetoxystyryl)phenyl)nonanedioate
by
Claudia Sciacca, Giulia Maria Grasso, Nunzio Cardullo and Vera Muccilli
Molbank 2025, 2025(3), M2044; https://doi.org/10.3390/M2044 - 5 Aug 2025
Abstract
Resveratrol is a natural stilbene known for its wide range of biological activities, including antioxidant, anti-inflammatory, and anti-aging effects. However, its application in cosmetics and dermatology is limited by poor stability and bioavailability. Azelaic acid is a natural carboxylic acid employed in cosmetics
[...] Read more.
Resveratrol is a natural stilbene known for its wide range of biological activities, including antioxidant, anti-inflammatory, and anti-aging effects. However, its application in cosmetics and dermatology is limited by poor stability and bioavailability. Azelaic acid is a natural carboxylic acid employed in cosmetics for its tyrosinase inhibition activity and for cutaneous hyperpigmentation disorders. In this work, we report a concise chemoenzymatic procedure for the synthesis of a novel hybrid molecule combining acetylated resveratrol and azelaic acid. This methodology offers a valuable route for the development of new bioactive compounds for potential cosmetic and dermatological applications.
Full article
(This article belongs to the Section Organic Synthesis and Biosynthesis)
►▼
Show Figures

Figure 1
Open AccessShort Note
6-Amino-4-phenylpyrrolo[2,3-c][1,2,6]thiadiazine-5-carbonitrile
by
Andreas S. Kalogirou, Andreas Kourtellaris and Panayiotis A. Koutentis
Molbank 2025, 2025(3), M2043; https://doi.org/10.3390/M2043 - 28 Jul 2025
Abstract
►▼
Show Figures
The reaction of 2-(3-chloro-5-phenyl-4H-1,2,6-thiadiazin-4-ylidene)malononitrile with ammonia in anhydrous THF, at ca. 20 °C, for 24 h, gave 6-amino-4-phenylpyrrolo[2,3-c][1,2,6]thiadiazine-5-carbonitrile in 95% yield. The product was characterized by 1H and 13C NMR, SC-XRD, MALDI-TOF mass spectrometry, FTIR, and UV-vis
[...] Read more.
The reaction of 2-(3-chloro-5-phenyl-4H-1,2,6-thiadiazin-4-ylidene)malononitrile with ammonia in anhydrous THF, at ca. 20 °C, for 24 h, gave 6-amino-4-phenylpyrrolo[2,3-c][1,2,6]thiadiazine-5-carbonitrile in 95% yield. The product was characterized by 1H and 13C NMR, SC-XRD, MALDI-TOF mass spectrometry, FTIR, and UV-vis spectroscopy. Intermolecular hydrogen bonding interactions were observed in the solid state between the C≡N and N-H groups of adjacent molecules.
Full article

Figure 1
attachment
Supplementary material:
Supplementary File 1 (ZIP, 460 KB)
Supplementary File 2 (MOL, 4 KB)
Supplementary File 3 (INCHI, 1 KB)
Supplementary File 4 (MOL, 4 KB)
Supplementary File 5 (MOL, 4 KB)
Supplementary File 6 (INCHI, 1 KB)
Supplementary File 7 (MOL, 4 KB)
Supplementary File 8 (CIF, 18 KB)
Supplementary File 9 (CIF, 21 KB)
Supplementary File 1 (ZIP, 460 KB)
Supplementary File 2 (MOL, 4 KB)
Supplementary File 3 (INCHI, 1 KB)
Supplementary File 4 (MOL, 4 KB)
Supplementary File 5 (MOL, 4 KB)
Supplementary File 6 (INCHI, 1 KB)
Supplementary File 7 (MOL, 4 KB)
Supplementary File 8 (CIF, 18 KB)
Supplementary File 9 (CIF, 21 KB)
Open AccessCommunication
Synthesis and Structural Characterization of Manganese(I) Complexes Ligated by 2-Azabutadienes (ArS)2C=C(H)-N=CPh2
by
Rodolphe Kinghat, Abderrahim Khatyr, Michael Knorr, Yoann Rousselin and Marek M. Kubicki
Molbank 2025, 2025(3), M2042; https://doi.org/10.3390/M2042 - 28 Jul 2025
Abstract
The thioether-functionalized 2-azabutadienes (ArS)2C=C(H)-N=CPh2 (L1 Ar = Ph, L2 Ar = p-Tol) ligate to [Mn(CO)5Br] to form the octahedral five-membered S, N-chelate complexes fac-[MnBr(CO)3{(ArS)2C=C(H)-N=CPh2] (1 Ar
[...] Read more.
The thioether-functionalized 2-azabutadienes (ArS)2C=C(H)-N=CPh2 (L1 Ar = Ph, L2 Ar = p-Tol) ligate to [Mn(CO)5Br] to form the octahedral five-membered S, N-chelate complexes fac-[MnBr(CO)3{(ArS)2C=C(H)-N=CPh2] (1 Ar = Ph; 2 Ar = p-Tol), whose crystal structures have been solved by X-ray diffraction. Complex 1 crystallizes in the non-centrosymmetric orthorhombic space group P212121, whereas 2 crystallizes in the triclinic space group P . The secondary interactions occurring in the packing have also been assessed by an Atoms in Molecules (AIM) topological analysis.
Full article
(This article belongs to the Section Structure Determination)
►▼
Show Figures

Figure 1
Open AccessShort Note
1,3,4,5-Tetra-O-benzoyl-α-d-tagatopyranose
by
Yiming Hu, Akihiro Iyoshi, Yui Makura, Masakazu Tanaka and Atsushi Ueda
Molbank 2025, 2025(3), M2041; https://doi.org/10.3390/M2041 - 22 Jul 2025
Cited by 2
Abstract
d-Tagatose, a rare sugar, is recognized as a low-calorie sweetener, used in daily life. Although d-tagatose exhibits intriguing biological activities, the synthesis of its derivatives has rarely been reported. In this study, we developed a method for synthesizing 1,3,4,5-tetra-O-benzoyl-α-
[...] Read more.
d-Tagatose, a rare sugar, is recognized as a low-calorie sweetener, used in daily life. Although d-tagatose exhibits intriguing biological activities, the synthesis of its derivatives has rarely been reported. In this study, we developed a method for synthesizing 1,3,4,5-tetra-O-benzoyl-α-d-tagatopyranose through the regioselective benzoylation of d-tagatose in a single step, achieving an 88% yield on a gram scale. Additionally, 1,2,3,4,5-penta-O-benzoyl-α-d-tagatopyranose and 1,2,3,4,6-penta-O-benzoyl-α-d-tagatofuranose were synthesized in 50% yield as a 7:1 mixture. The structures of the three new benzoylated d-tagatose derivatives were confirmed by 1H, 13C NMR, 2D NMR, FT-IR, and HRMS analyses.
Full article
(This article belongs to the Section Organic Synthesis and Biosynthesis)
►▼
Show Figures

Figure 1
Open AccessShort Note
Benzyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate
by
Lucrezia Spinelli, Matteo Mori and Laura Fumagalli
Molbank 2025, 2025(3), M2040; https://doi.org/10.3390/M2040 - 21 Jul 2025
Abstract
►▼
Show Figures
Heterocycles—cyclic compounds containing at least one non-carbon heteroatom (e.g., N, O, S)—are fundamental in medicinal chemistry due to their influence on a drug’s physicochemical and biological properties. They improve solubility, bioavailability, and facilitate molecular recognition through their electronic and hydrogen-bonding features. These properties
[...] Read more.
Heterocycles—cyclic compounds containing at least one non-carbon heteroatom (e.g., N, O, S)—are fundamental in medicinal chemistry due to their influence on a drug’s physicochemical and biological properties. They improve solubility, bioavailability, and facilitate molecular recognition through their electronic and hydrogen-bonding features. These properties make them indispensable in drug design. This study focuses on the synthesis of a key heterocyclic intermediate: benzyl-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate. This molecule incorporates a thiazole ring, known for its rigidity and electronic properties, that enhances target interactions. The 2-position bears a Cbz-protected amine, enabling orthogonal deprotection, while the 4-position features a hydroxyethyl side chain, providing a handle for further chemical modifications via nucleophilic substitution. Herein, we report the successful synthesis of this intermediate along with its full 1H and 13C NMR spectra, melting point, and crystal structure, confirming its identity and purity.
Full article

Figure 1
Open AccessCommunication
Synthesis and Characterization of Amide-Based Cyclotriphosphazene Derivatives with Alkoxy Terminal Groups
by
Khairunnisa Abdul Rahim and Zuhair Jamain
Molbank 2025, 2025(3), M2039; https://doi.org/10.3390/M2039 - 21 Jul 2025
Abstract
►▼
Show Figures
A series of new amide-based cyclotriphosphazene molecules consisting of different terminal groups (heptyl, decyl, and tetradecyl) at the periphery was successfully synthesized and characterized. The reaction began with the alkylation of methyl-4-hydroxybenzoate with 1-bromoheptane, 1-bromodecane, and 1-bromotetradecane, which was followed by reduction with
[...] Read more.
A series of new amide-based cyclotriphosphazene molecules consisting of different terminal groups (heptyl, decyl, and tetradecyl) at the periphery was successfully synthesized and characterized. The reaction began with the alkylation of methyl-4-hydroxybenzoate with 1-bromoheptane, 1-bromodecane, and 1-bromotetradecane, which was followed by reduction with potassium hydroxide to form a series of benzoic acid intermediates (1a–c). These intermediates underwent a reaction with thionyl chloride, followed by a reaction with 4-nitroaniline and triethylamine, to form para-substituted amides (2a–c). Further reduction of intermediates 2a–c with sodium sulfide hydrate produced the anilines 3a–c. Another reaction of hexachlorocyclotriphosphazene (HCCP) with methyl-4-hydroxybenzoate yielded intermediate 4, which was then reduced with sodium hydroxide to form intermediate 5. Finally, chlorination of intermediate 5 with thionyl chloride, followed by a reaction with the aniline derivatives (3a–c), formed the hexasubstituted cyclotriphosphazene compounds 6a–c, with two amide linkages. The structures of these compounds were confirmed using Fourier transform infrared (FTIR) spectroscopy, nuclear magnetic resonance (NMR) spectroscopy and CHN elemental analysis.
Full article

Figure 1
Open AccessCommunication
Synthesis of 2-(2-((5″-(4-Cyanophenyl)-3,4′,4″-trioctyl[2,2′:5′,2″-terthiophen]-5-yl)methylene)-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile
by
Alexia M. Frîncu, Lidia Căta, David Bălăceanu, Ion Grosu, Andreea P. Crișan and Anamaria Terec
Molbank 2025, 2025(3), M2038; https://doi.org/10.3390/M2038 - 18 Jul 2025
Abstract
A new π-conjugated acceptor–donor–acceptor small molecule, designed for applications in organic solar cells, containing a terthiophene core and indandione- and benzonitrile-based electron-withdrawing units, was synthesized via a multi-step process involving Suzuki–Miyaura cross-coupling and Knoevenagel condensation reactions. The structure was confirmed by NMR spectroscopy,
[...] Read more.
A new π-conjugated acceptor–donor–acceptor small molecule, designed for applications in organic solar cells, containing a terthiophene core and indandione- and benzonitrile-based electron-withdrawing units, was synthesized via a multi-step process involving Suzuki–Miyaura cross-coupling and Knoevenagel condensation reactions. The structure was confirmed by NMR spectroscopy, HRMS, and its optoelectronic properties were evaluated by UV–vis spectroscopy and cyclic voltammetry.
Full article
(This article belongs to the Section Organic Synthesis and Biosynthesis)
►▼
Show Figures

Graphical abstract
Highly Accessed Articles
Latest Books
E-Mail Alert
News
3 September 2025
Join Us at the MDPI at the University of Toronto Career Fair, 23 September 2025, Toronto, ON, Canada
Join Us at the MDPI at the University of Toronto Career Fair, 23 September 2025, Toronto, ON, Canada

1 September 2025
MDPI INSIGHTS: The CEO’s Letter #26 – CUJS, Head of Ethics, Open Peer Review, AIS 2025, Reviewer Recognition
MDPI INSIGHTS: The CEO’s Letter #26 – CUJS, Head of Ethics, Open Peer Review, AIS 2025, Reviewer Recognition
Topics
Topic in
Catalysts, Chemistry, Molbank, Molecules, Sustainable Chemistry
Towards the Sustainable Synthesis of Biologically Active Molecules in Green Solvents
Topic Editors: Antonio Salomone, Serena PerroneDeadline: 31 December 2025

Conferences
Special Issues
Special Issue in
Molbank
Carbonylation Chemistry in the Synthesis of High Value Added Compounds
Guest Editors: Bartolo Gabriele, Raffaella MancusoDeadline: 20 April 2026
Topical Collections
Topical Collection in
Molbank
Molecules from Catalytic Processes
Collection Editor: Nicola Della Ca’