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Molbank, Volume 2016, Issue 2 (June 2016)

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Open AccessShort Note 5-(4-Fluorophenyl)-3-(naphthalen-1-yl)-1-phenyl-4,5-dihydro-1H-pyrazole
Molbank 2016, 2016(2), M891; doi:10.3390/M891
Received: 26 February 2016 / Revised: 15 March 2016 / Accepted: 24 March 2016 / Published: 29 March 2016
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Abstract
A new fluorinated 1-naphtyl pyrazoline (4) has been successfully synthesized by reacting a fluorinated 1-naphtyl chalcone (3) with phenyl hydrazine under microwave irradiation. The structure of compound 4 was characterized by UV-Vis, FTIR, HRMS, 1D NMR and 2D NMR spectroscopies. Full article
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Open AccessShort Note Methyl 2,5-Dihydroxy-4-(3′-methyl-2′-butenyl)benzoate
Molbank 2016, 2016(2), M892; doi:10.3390/M892
Received: 22 February 2016 / Revised: 22 March 2016 / Accepted: 23 March 2016 / Published: 29 March 2016
Cited by 1 | PDF Full-text (445 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
Methyl 2,5-dihydroxy-4-(3′-methyl-2′-butenyl)benzoate (1) was isolated from the root of Erythrina subumbrans. The chemical structure of 1 has been elucidated based on spectroscopy UV-Vis, HRESIMS, 1D and 2D NMR analysis. Full article
(This article belongs to the Section Natural Products)
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Open AccessShort Note 1,4-Bis[(N-acetyl-l-phenylalanyl-glycyl-l-alanyl)aminomethyl]benzene
Molbank 2016, 2016(2), M893; doi:10.3390/M893
Received: 26 February 2016 / Revised: 22 March 2016 / Accepted: 23 March 2016 / Published: 30 March 2016
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Abstract
The title compound was prepared by inducing amide bond formation between 1,4-bis(aminomethyl)benzene and tripeptide Ac-Phe-Gly-Ala-OH. The structure of the synthesized compound was determined on the basis of its 1H-nuclear magnetic resonance (NMR), 13C-NMR, and mass spectral data. Furthermore, the compound's preferred
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The title compound was prepared by inducing amide bond formation between 1,4-bis(aminomethyl)benzene and tripeptide Ac-Phe-Gly-Ala-OH. The structure of the synthesized compound was determined on the basis of its 1H-nuclear magnetic resonance (NMR), 13C-NMR, and mass spectral data. Furthermore, the compound's preferred structure in solution and calculated conformation are also reported. Full article
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Open AccessShort Note 1-[2-(4-Methyl-7-coumarinyloxy)ethyl]-4-(5-{1-[2-(4-methyl-7-coumarinyloxy)ethyl]-1H-1,2,3-triazol-4-yl}pentyl)-1H-1,2,3-triazole
Molbank 2016, 2016(2), M894; doi:10.3390/M894
Received: 8 February 2016 / Revised: 22 March 2016 / Accepted: 31 March 2016 / Published: 11 April 2016
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Abstract
Nature often produces compounds with a high degree of symmetry to reduce structural information and complexity. Synthesis of identical twin drugs, through the linkage of two identical pharmacophoric entities, is a classical strategy to produce more potent and/or selective drugs. Herein, two units
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Nature often produces compounds with a high degree of symmetry to reduce structural information and complexity. Synthesis of identical twin drugs, through the linkage of two identical pharmacophoric entities, is a classical strategy to produce more potent and/or selective drugs. Herein, two units of the privileged core of the coumarin hymecromone were linked together using “click chemistry”. Synthesis of 1-[2-(4-Methyl-7-coumarinyloxy)ethyl]-4-(5-{1-[2-(4-methyl-7-coumarinyloxy)ethyl]-1H-1,2,3-triazol-4-yl}pentyl)-1H-1,2,3-triazole was achieved by coupling of two identical units of an azido coumarin with a symmetrical alkine using copper(I)-catalyzed alkyne-azide cycloaddition reaction, in good yields and with complete regioselectivity. Full article
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Open AccessShort Note 2-O,O′,Oʺ,Oʺ′-Bis(1,2-dithiooxalato-S,S′)nickel(II)]bis[-O,O′-bis(1,2-dithiooxalato-S,S′)-nickel(II)pentaquaholmium(III)]hydrate, [Ho2Ni3(dto)6(H2O)10]
Molbank 2016, 2016(2), M895; doi:10.3390/M895
Received: 9 February 2016 / Revised: 5 April 2016 / Accepted: 5 April 2016 / Published: 12 April 2016
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Abstract
Planar bis(1,2-dithiooxalato)nickelate(II), [Ni(dto)]2− reacts in aqueous solutions with lanthanide ions (Ln3+) to form pentanuclear, hetero-bimetallic complexes of the general composition [{Ln(H2O)n}2{Ni(dto)2}3]·xH2O. (n = 4 or 5; x
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Planar bis(1,2-dithiooxalato)nickelate(II), [Ni(dto)]2− reacts in aqueous solutions with lanthanide ions (Ln3+) to form pentanuclear, hetero-bimetallic complexes of the general composition [{Ln(H2O)n}2{Ni(dto)2}3]·xH2O. (n = 4 or 5; x = 9–12). The complex [{Ho(H2O)5}2{Ni(dto)2}3]·10H2O, Ho2Ni3, was synthesized and characterized by single crystal X-ray structure analysis and powder diffraction. The Ho2Ni3 complex crystallizes as monoclinic crystals in the space group P21/c. The channels and cavities, appearing in the crystal packing of the complex molecules, are occupied by a varying amount of non-coordinated water molecules. Full article
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Open AccessShort Note (5S)-5-[(4aR,8aS,9E,11S,13R,14S,16R,17R,19S)-11,19-Dihydroxy-8,10,13,16-tetramethyl-18-methylidene-3,4,5,6,8a,11,12,13,14,15,16,17,18,19,20,21-hexadecahydro-2H-14,17-epoxybenzo[2,3]cyclohexadeca[1,2-b]pyridine-7-yl]-3-methylfuran-2(5H)-one (12-Methylgymnodimine B)
Molbank 2016, 2016(2), M896; doi:10.3390/M896
Received: 25 February 2016 / Revised: 5 April 2016 / Accepted: 6 April 2016 / Published: 14 April 2016
Cited by 1 | PDF Full-text (500 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
A new member of the gymnodimine class of spiroimine toxins has been isolated from a laboratory culture strain of Alexandrium ostenfeldii. Extensive one-dimensional (1D) and two-dimensional (2D) NMR data analysis was used to elucidate its structure as 12-methylgymnodimine B. Full article
(This article belongs to the Section Natural Products)
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Open AccessShort Note (E)-3-Methyl-6-(3-oxo-3-(thiophen-2-yl)-1-propenyl)-2(3H)-benzothiazolone
Molbank 2016, 2016(2), M897; doi:10.3390/M897
Received: 1 March 2016 / Revised: 1 April 2016 / Accepted: 5 April 2016 / Published: 15 April 2016
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Abstract
The title compound, (E)-3-methyl-6-(3-oxo-3-(thiophen-2-yl)-1-propenyl)-2(3H)-benzothiazolone, was synthesized by Claisen-Schmidt condensation of 3-methyl-2(3H)-benzothiazolone-6-carbaldehyde with 2-acetylthiophene in 94% yield. The structure of the target compound was confirmed using 1H-NMR, 13C-NMR, IR, MS, and elemental analysis. Full article
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Open AccessShort Note 5-(5-Bromo-2-hydroxy-3-methoxyphenyl)-7-methyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Molbank 2016, 2016(2), M898; doi:10.3390/M898
Received: 25 January 2016 / Revised: 30 March 2016 / Accepted: 11 April 2016 / Published: 27 April 2016
Cited by 1 | PDF Full-text (447 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
The title compound was synthesized by multicomponent condensation of 3-amino-1,2,4-triazole, acetone and 5-bromo-2-hydroxy-3-methoxybenzaldehyde. The structure was established by 1H-NMR, 13C-NMR, IR spectroscopy and LC-MS. Full article
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Open AccessShort Note 6-Nitro-4H-benzo[d][1,3]thiazin-2-amine
Molbank 2016, 2016(2), M899; doi:10.3390/M899
Received: 26 April 2016 / Revised: 10 May 2016 / Accepted: 11 May 2016 / Published: 16 May 2016
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Abstract
An efficient and cost-effective synthesis of 6-nitro-4H-benzo[d][1,3]thiazin-2-amine based on a sequential SN2-SNAr process is reported. The synthesis is accomplished with an overall yield of 80%. Full article
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Open AccessShort Note 2II-VII, 3I-VII, 6I-VII-Icosa-O-acetyl-2I-deoxy-cyclomaltoheptaose
Molbank 2016, 2016(2), M900; doi:10.3390/M900
Received: 18 April 2016 / Revised: 23 May 2016 / Accepted: 23 May 2016 / Published: 31 May 2016
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Abstract
Deoxygenation of a secondary hydroxy group on β-cyclodextrin was conducted to prepare the title compound 2II-VII, 3I-VII, 6I-VII-icosa-O-acetyl-2I-deoxy-cyclomaltoheptaose. The synthetic procedure comprised a two-step reaction—phenoxythiocarbonylation and Barton-McCombie deoxygenation. The synthesized compound was characterized by 1H-NMR, 13C-NMR, HRMS, and elemental analysis. Full article
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Open AccessShort Note 6-[(4-Chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl]-3-methyl-2(3H)-benzoxazolone
Molbank 2016, 2016(2), M901; doi:10.3390/M901
Received: 18 April 2016 / Revised: 13 May 2016 / Accepted: 19 May 2016 / Published: 1 June 2016
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Abstract
A new hybrid molecule containing a triazole and a benzoxazolone ring was synthesized. The structure of 6-[(4-chlorophenyl)(1H-1,2,4-triazol-1-yl) methyl]-3-methyl-2(3H)-benzoxazolone was confirmed by IR, 1H-, 13C-NMR, MS and elemental analysis. Full article
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