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Molbank
Volume 2016
Issue 2
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Molbank, Volume 2016, Issue 2 (June 2016) – 11 articles

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347 KiB  
Short Note
6-[(4-Chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl]-3-methyl-2(3H)-benzoxazolone
by Mariana S. Gerova, Yordanka B. Ivanova, Christo D. Chanev and Ognyan I. Petrov
Molbank 2016, 2016(2), M901; https://doi.org/10.3390/M901 - 1 Jun 2016
Viewed by 3353
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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352 KiB  
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2II-VII, 3I-VII, 6I-VII-Icosa-O-acetyl-2I-deoxy-cyclomaltoheptaose
by Atsushi Miyagawa, Kazuki Kano, Aya Yoshida and Hatsuo Yamamura
Molbank 2016, 2016(2), M900; https://doi.org/10.3390/M900 - 31 May 2016
Cited by 1 | Viewed by 3122
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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300 KiB  
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6-Nitro-4H-benzo[d][1,3]thiazin-2-amine
by Krishna Kumar Gnanasekaran, John T. Hiett and Richard A. Bunce
Molbank 2016, 2016(2), M899; https://doi.org/10.3390/M899 - 16 May 2016
Cited by 1 | Viewed by 3122
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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447 KiB  
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5-(5-Bromo-2-hydroxy-3-methoxyphenyl)-7-methyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
by Michael Kondratiuk, Nikolay Yu. Gorobets, Yuriy V. Sedash, Mustafa K. Gümüş and Sergey M. Desenko
Molbank 2016, 2016(2), M898; https://doi.org/10.3390/M898 - 27 Apr 2016
Cited by 8 | Viewed by 3931
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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369 KiB  
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(E)-3-Methyl-6-(3-oxo-3-(thiophen-2-yl)-1-propenyl)-2(3H)-benzothiazolone
by Yordanka Ivanova, Mariana Gerova, Christo Chanev and Ognyan Petrov
Molbank 2016, 2016(2), M897; https://doi.org/10.3390/M897 - 15 Apr 2016
Viewed by 3097
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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500 KiB  
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(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)
by Wendy Strangman, Matthew Anttila, Carmelo Tomas and Jeffrey L. C. Wright
Molbank 2016, 2016(2), M896; https://doi.org/10.3390/M896 - 14 Apr 2016
Cited by 7 | Viewed by 3626
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 Product Chemistry)
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591 KiB  
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[µ2-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]
by Jana König, Alexandra Kelling, Uwe Schilde and Peter Strauch
Molbank 2016, 2016(2), M895; https://doi.org/10.3390/M895 - 12 Apr 2016
Cited by 3 | Viewed by 4006
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 [...] Read more.
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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338 KiB  
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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
by Fernando Cidade Torres, Gabriel Oliveira De Azambuja, Itamar Luís Gonçalves, Guilherme Arraché Gonçalves, Gilsane Lino Von Poser, Daniel Fábio Kawano and Vera Lucia Eifler-Lima
Molbank 2016, 2016(2), M894; https://doi.org/10.3390/M894 - 11 Apr 2016
Cited by 2 | Viewed by 3426
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 [...] Read more.
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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661 KiB  
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1,4-Bis[(N-acetyl-l-phenylalanyl-glycyl-l-alanyl)aminomethyl]benzene
by Yosuke Demizu, Kohei Tsutsui, Takashi Misawa and Masaaki Kurihara
Molbank 2016, 2016(2), M893; https://doi.org/10.3390/M893 - 30 Mar 2016
Viewed by 2861
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 [...] Read more.
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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445 KiB  
Short Note
Methyl 2,5-Dihydroxy-4-(3′-methyl-2′-butenyl)benzoate
by Tjitjik Srie Tjahjandarie, Ratih Dewi Saputri and Mulyadi Tanjung
Molbank 2016, 2016(2), M892; https://doi.org/10.3390/M892 - 29 Mar 2016
Cited by 4 | Viewed by 4394
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 Product Chemistry)
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521 KiB  
Short Note
5-(4-Fluorophenyl)-3-(naphthalen-1-yl)-1-phenyl-4,5-dihydro-1H-pyrazole
by Jasril Jasril, Adel Zamri, Ihsan Ikhtiarudin and Hilwan Y. Teruna
Molbank 2016, 2016(2), M891; https://doi.org/10.3390/M891 - 29 Mar 2016
Cited by 4 | Viewed by 4190
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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