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Advances in Heterocyclic Synthesis, 2nd Edition
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Advances in Heterocyclic Synthesis, 2nd Edition

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Organic Chemistry".

Deadline for manuscript submissions: 30 June 2026 | Viewed by 5194

Special Issue Editor

Dr. Francesca Marini

E-Mail Website
Guest Editor
Department of Pharmaceutical Sciences, University of Perugia, Via del Liceo 1, 06100 Perugia, Italy
Interests: heterocycles; stereoselective synthesis; one-pot reactions; multicomponent reactions; organocatalytic methods; organoselenium chemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Heterocycles have a significant impact in several areas of chemical research, such as organic, bio-organic, medicinal, and material chemistry. Such compounds are valuable ligands, auxiliaries, and catalysts, as well as key synthetic intermediates in organic synthesis. Moreover, heterocycles represent structural cores of bioactive natural products, pharmaceuticals, agrochemicals, polymers, and materials. Given their widespread appeal, a number of new methodologies for the assembly and the functionalization of heterocycles continue to appear in the literature every year. This Special Issue aims to present new developments in the field of heterocyclic chemistry. Potential topics include (but are not limited to) the sustainable synthesis of heterocyclic compounds, one-pot or multicomponent reactions, and the synthesis of biologically relevant heterocycles.

Dr. Francesca Marini
Guest Editor

Manuscript Submission Information

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Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • heterocycles
  • stereoselective synthesis
  • sustainable synthesis
  • one-pot reactions
  • multicomponent reactions
  • catalysis

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Related Special Issue

Published Papers (4 papers)

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Research

18 pages, 6653 KB  
Article
Pyrene-Chromone Schiff Base Molecules with Tunable Fluorescence: Structure–Property Relationships and Substituent Effects
by Merve Zurnacı
Molecules 2026, 31(6), 1059; https://doi.org/10.3390/molecules31061059 - 23 Mar 2026
Viewed by 421
Abstract
The fluorescence properties of organic molecules are largely determined by molecular architecture, π-conjugation, and electronic substituent effects. In this study, three novel pyrene-chromone Schiff base derivatives were designed and synthesized to investigate substituent-driven modulation of photophysical behavior. The compounds were obtained via condensation [...] Read more.
The fluorescence properties of organic molecules are largely determined by molecular architecture, π-conjugation, and electronic substituent effects. In this study, three novel pyrene-chromone Schiff base derivatives were designed and synthesized to investigate substituent-driven modulation of photophysical behavior. The compounds were obtained via condensation of 1-aminopyrene with three different chromone-based aldehydes and fully characterized by FT-IR, 1H-NMR, and mass spectrometry. The molecular design involves a donor-π-acceptor architecture: pyrene donates electrons, while the chromene moiety accepts them, enabling charge transfer upon excitation. UV-Vis and fluorescence spectroscopy revealed intense absorption in the 430–440 nm range and tunable emission in the 540–565 nm region, corresponding to large Stokes shifts (107–125 nm). Substituent effects significantly influenced optical band gaps and emission intensities, with the nitro-substituted derivative exhibiting a reduced band gap and pronounced fluorescence quenching due to enhanced intramolecular charge transfer. Concentration-dependent absorption studies demonstrated linear Beer–Lambert behavior, indicating the absence of aggregation within the investigated range. These results establish clear structure–property relationships in pyrene-chromene Schiff bases and highlight their potential as promising candidates for optoelectronic and fluorescence-based sensing applications. Full article
(This article belongs to the Special Issue Advances in Heterocyclic Synthesis, 2nd Edition)
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22 pages, 10960 KB  
Article
Huisgen Cycloaddition of Azidoazulenes: Synthesis, Structural and Optical Properties of 2- and 6-(1,2,3-Triazol-1-yl)azulenes
by Taku Shoji, Miku Yoshida, Masayuki Iwabuchi, Mitsuki Furuhata, Shigeki Mori, Tetsuo Okujima, Ikumi Uchiyama, Ryuta Sekiguchi and Shunji Ito
Molecules 2026, 31(2), 221; https://doi.org/10.3390/molecules31020221 - 8 Jan 2026
Viewed by 591
Abstract
We developed an efficient and modular route to 2- and 6-(1,2,3-triazol-1-yl)azulenes to expand the synthetic accessibility and functional scope of azulene-based π-systems with stimulus-responsive photophysics. Readily accessible 2- and 6-azidoazulenes, prepared in excellent yields via SNAr reactions of haloazulenes, were subjected [...] Read more.
We developed an efficient and modular route to 2- and 6-(1,2,3-triazol-1-yl)azulenes to expand the synthetic accessibility and functional scope of azulene-based π-systems with stimulus-responsive photophysics. Readily accessible 2- and 6-azidoazulenes, prepared in excellent yields via SNAr reactions of haloazulenes, were subjected to Cu(I)-catalyzed Huisgen [3 + 2] cycloaddition with a broad range of terminal alkynes to afford the corresponding triazolylazulenes in good to high yields, followed by acid-mediated decarboxylation and Staudinger reduction to enable further diversification to 2-azulenyltriazoles and a 6-aminoazulene derivative. Single-crystal X-ray diffraction analysis revealed substitution-position-dependent torsional arrangements and variations in π-conjugation between the azulene and triazole units. Photophysical characterization by UV/Vis absorption and fluorescence spectroscopy showed pronounced halochromism under acidic conditions, and selected derivatives displayed substantially enhanced fluorescence quantum yields. Overall, these results establish the azulene–1,2,3-triazole motif as a versatile building block for designing optoelectronic π-systems with acid-responsive emission properties. Full article
(This article belongs to the Special Issue Advances in Heterocyclic Synthesis, 2nd Edition)
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16 pages, 1010 KB  
Article
Synthesis of Trifluoromethylated Spiroisoxazolones via a [3+2] Cycloaddition of Nitrile Imines and Unsaturated Isoxazolones
by Wei Zhang and Da-Ming Du
Molecules 2026, 31(1), 73; https://doi.org/10.3390/molecules31010073 - 24 Dec 2025
Viewed by 672
Abstract
A strategy for constructing trifluoromethylated spiroisoxazolones has been developed. This approach relies on the 1,3-dipolar cycloaddition of CF3-substituted nitrile imines, generated in situ from trifluoroacetyl hydrazonoyl bromides and K2CO3, with the exocyclic double bond of 4-benzylidene-3-methylisoxazol-5(4H [...] Read more.
A strategy for constructing trifluoromethylated spiroisoxazolones has been developed. This approach relies on the 1,3-dipolar cycloaddition of CF3-substituted nitrile imines, generated in situ from trifluoroacetyl hydrazonoyl bromides and K2CO3, with the exocyclic double bond of 4-benzylidene-3-methylisoxazol-5(4H)-ones. The reaction provides a series of trifluoromethylated spiro(isoxazolone-pyrazoline) derivatives in moderate to high yields (up to 93%). The protocol exhibits broad substrate compatibility with respect to aromatic substituents on both reaction partners. To the best of our knowledge, the introduction of a trifluoromethyl group at the 3-position of the pyrazoline ring via nitrile imine cycloaddition chemistry has not been previously reported. The resulting products incorporate a valuable CF3-substituted pyrazoline pharmacophore spiro-fused to an isoxazolone core and may be of interest for medicinal chemistry programs. Full article
(This article belongs to the Special Issue Advances in Heterocyclic Synthesis, 2nd Edition)
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17 pages, 1827 KB  
Article
Synthesis of Substituted 1,4-Benzodiazepines by Palladium-Catalyzed Cyclization of N-Tosyl-Disubstituted 2-Aminobenzylamines with Propargylic Carbonates
by Masahiro Yoshida, Saya Okubo, Akira Kurosaka, Shunya Mori, Touya Kariya and Kenji Matsumoto
Molecules 2025, 30(14), 3004; https://doi.org/10.3390/molecules30143004 - 17 Jul 2025
Viewed by 3008
Abstract
A synthesis of substituted 1,4-benzodiazepines has been developed via palladium-catalyzed cyclization of N-tosyl-disubstituted 2-aminobenzylamines with propargylic carbonates. The reaction proceeds through the formation of π-allylpalladium intermediates, which undergo intramolecular nucleophilic attack by the amide nitrogen to afford seven-membered benzodiazepine cores. In reactions [...] Read more.
A synthesis of substituted 1,4-benzodiazepines has been developed via palladium-catalyzed cyclization of N-tosyl-disubstituted 2-aminobenzylamines with propargylic carbonates. The reaction proceeds through the formation of π-allylpalladium intermediates, which undergo intramolecular nucleophilic attack by the amide nitrogen to afford seven-membered benzodiazepine cores. In reactions involving unsymmetrical diaryl-substituted carbonates, regioselectivity was observed to favor nucleophilic attack at the alkyne terminus substituted with the more electron-rich aryl group, suggesting that electronic effects play a key role in determining product distribution. The versatility of this reaction was further demonstrated by constructing a benzodiazepine framework found in bioactive molecules, indicating its potential utility in medicinal chemistry. Mechanistic insights supported by stereochemical outcomes and X-ray crystallographic analysis of key intermediates reinforce the proposed reaction pathway. This palladium-catalyzed protocol thus offers an efficient and practical approach to access structurally diverse benzodiazepine derivatives. Full article
(This article belongs to the Special Issue Advances in Heterocyclic Synthesis, 2nd Edition)
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