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Molbank, Volume 2017, Issue 2 (June 2017)

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Open AccessShort Note Triphenylphosphine-(N,N-dimethyldithiocarbamato)-gold(I) Methanol Solvate
Molbank 2017, 2017(2), M937; doi:10.3390/M937
Received: 1 March 2017 / Revised: 20 March 2017 / Accepted: 23 March 2017 / Published: 30 March 2017
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Abstract
Abstract: A gold(I) complex with a triphenylphosphine and a monodentate N,N-dimethyldithiocarbamate ligand was synthesized and characterized by Raman spectroscopy and single crystal X-ray diffraction. DFT calculations (Gaussian 09, PBE1PBE/Lanl2dz) were undertaken for a single complex in the gas phase. The
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Abstract: A gold(I) complex with a triphenylphosphine and a monodentate N,N-dimethyldithiocarbamate ligand was synthesized and characterized by Raman spectroscopy and single crystal X-ray diffraction. DFT calculations (Gaussian 09, PBE1PBE/Lanl2dz) were undertaken for a single complex in the gas phase. The DFT-optimized structure and calculated Raman spectrum are in good agreement with the crystal structure and the experimental spectrum. Assignments of the Raman peaks are based on these DFT calculations. Frontier molecular orbitals were calculated and their nature is discussed. Full article
(This article belongs to the Section Structure Determination)
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Open AccessShort Note 4-({4-[(2E)-3-(2,5-Dimethoxyphenyl)prop-2-enoyl]phenyl}amino)-4-oxobutanoic Acid
Molbank 2017, 2017(2), M938; doi:10.3390/M938
Received: 14 March 2017 / Revised: 25 March 2017 / Accepted: 29 March 2017 / Published: 5 April 2017
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Abstract
A dimethoxy amide chalcone has been synthesized in a two-step reaction. First, an amine chalcone was synthesized by the reaction of 4′-aminoacetophenone and 2,5-dimethoxybenzaldehyde using 40% NaOH solution as a catalyst in ethanol, and then followed by amidation through the reaction of the
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A dimethoxy amide chalcone has been synthesized in a two-step reaction. First, an amine chalcone was synthesized by the reaction of 4′-aminoacetophenone and 2,5-dimethoxybenzaldehyde using 40% NaOH solution as a catalyst in ethanol, and then followed by amidation through the reaction of the formed chalcone and succinic anhydride. The structure of the target compound was established by FTIR, HR-MS, 1H- and 13C-NMR, and 2D-NMR spectral analysis. Full article
(This article belongs to the Section Organic Synthesis)
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Figure 1

Open AccessShort Note 4-Methoxy-3-(3-methylbut-2-en-1-yl)-7-[(3-methylbut-2-en-1-yl)oxy]quinolin-2(1H)-one from Melicope Moluccana T.G. Hartley
Molbank 2017, 2017(2), M939; doi:10.3390/M939
Received: 16 February 2017 / Revised: 28 March 2017 / Accepted: 31 March 2017 / Published: 7 April 2017
Cited by 1 | PDF Full-text (958 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
4-Methoxy-3-(3-methylbut-2-en-1-yl)-7-[(3-methylbut-2-en-1-yl)oxy]quinolin-2(1H)-one (1) was isolated from the leaves of Melicope moluccana T.G. Hartley. The chemical structure of 1 was elucidated using mainly UV, IR, HRESIMS, 1D and 2D-NMR spectroscopy. Full article
(This article belongs to the Section Natural Products)
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Open AccessShort Note 1-{4-[(Hexyloxy)methyl]pyridin-2-yl}ethanone
Molbank 2017, 2017(2), M940; doi:10.3390/M940
Received: 15 March 2017 / Revised: 29 March 2017 / Accepted: 4 April 2017 / Published: 7 April 2017
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Abstract
A new member of the 2-acetylpyridine family has been prepared and characterized. Its synthesis is a two-step process starting from a pyridyl-alcohol in which the ketone moiety is protected as a cyclic acetal. Alkylation of the alcohol followed by hydrolysis of the acetal
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A new member of the 2-acetylpyridine family has been prepared and characterized. Its synthesis is a two-step process starting from a pyridyl-alcohol in which the ketone moiety is protected as a cyclic acetal. Alkylation of the alcohol followed by hydrolysis of the acetal afforded the title compound in 52% overall yield. Full article
(This article belongs to the Section Organic Synthesis)
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Open AccessShort Note 7-Bromo-1-methyl-2-phenyl-1H-indole-3-carbonitrile
Molbank 2017, 2017(2), M941; doi:10.3390/M941
Received: 6 March 2017 / Revised: 24 March 2017 / Accepted: 27 March 2017 / Published: 7 April 2017
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Abstract
The title compound was prepared by electrophilic aromatic substitution of 7-bromo-1-methyl-2-phenyl-1H-indole with NCTS (N-cyano-N-phenyl-p-toluenesulfonamide). The structural identity of the title compound was proven by elemental analysis and spectroscopic methods (IR, NMR, APCI-MS). Purity was assessed by two independent HPLC methods. Full article
(This article belongs to the Section Organic Synthesis)
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Scheme 1

Open AccessShort Note Ethyl 7-Methyl-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate
Molbank 2017, 2017(2), M942; doi:10.3390/M942
Received: 13 March 2017 / Revised: 2 May 2017 / Accepted: 8 May 2017 / Published: 19 May 2017
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Abstract
A novel compound, ethyl 7-methyl-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate (7) was synthesized by reaction of N-(4-nitrophenyl)thiophene-2-carbohydrazonoyl chloride (1) with ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (2). The mechanism of the studied reaction is discussed and the assigned structure was confirmed by elemental
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A novel compound, ethyl 7-methyl-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate (7) was synthesized by reaction of N-(4-nitrophenyl)thiophene-2-carbohydrazonoyl chloride (1) with ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (2). The mechanism of the studied reaction is discussed and the assigned structure was confirmed by elemental analysis and spectral data. Moreover, the in vitro antitumor activities against human lung (A-549) and human hepatocellular carcinoma (HepG-2) cell lines were determined by the MTT method, and the results indicated a high potency compared with the employed standard antitumor drug (Cisplatin). Full article
(This article belongs to the Section Organic Synthesis)
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Figure 1

Open AccessShort Note N-(4-Nitrophenyl)-2-{2-[3-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide
Molbank 2017, 2017(2), M943; doi:10.3390/M943
Received: 15 May 2017 / Revised: 2 June 2017 / Accepted: 6 June 2017 / Published: 10 June 2017
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Abstract
In the present investigation, the synthesis and spectroscopic characterization of N-(4-nitrophenyl)-2-{2-[3-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide (2) is performed. The title compound (2) is synthesized by the reaction of 3-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5- dihydro-1H-pyrazole-1-carbothioamide (1) with N-(4-nitrophenyl)maleimide. The cyclization of title compound is evidenced by FT-IR, NMR, and LCMS data. Full article
(This article belongs to the Section Organic Synthesis)
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Open AccessShort Note 10a,11,11-Trimethyl-10a,11-dihydro-8H-benzo[e]imidazo[1,2-a]indol-9(10H)-one
Molbank 2017, 2017(2), M944; doi:10.3390/M944
Received: 2 May 2017 / Revised: 29 May 2017 / Accepted: 31 May 2017 / Published: 22 June 2017
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Abstract
The alkylation of 1,1,2-trimethyl-1H-benzo[e]indole with 2-chloroacetamide, followed by work-up of the reaction mixture with a base and the subsequent treatment of a crude product with acetic acid gives 10a,11,11-trimethyl-10a,11-dihydro-8H-benzo[e]imidazo[1,2-a]indol-9(10H)-one. The structure
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The alkylation of 1,1,2-trimethyl-1H-benzo[e]indole with 2-chloroacetamide, followed by work-up of the reaction mixture with a base and the subsequent treatment of a crude product with acetic acid gives 10a,11,11-trimethyl-10a,11-dihydro-8H-benzo[e]imidazo[1,2-a]indol-9(10H)-one. The structure assignments were based on data from 1H, 13C, and 15N-NMR spectroscopy. The optical properties of the obtained compound were studied by UV–Vis and fluorescence spectroscopy. Full article
(This article belongs to the Section Organic Synthesis)
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Figure 1

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