Organic chemistry
Ali Ramazani; Masoome Sheikhi Sheikhi; Ali Souldozi; Sang Woo Joo; Hooriye Yahyaei
Volume 5, Issue 4, pp. 364-493, Serial No. 17 , October 2017, , Pages 449-470
Abstract
Dimethyl (z)-2-[(2-methyl-5-oxo-1-cyclopentyl)oxy]-2-butenedioate has been synthesized using one-pot three component reaction between N-isocyaniminotriphenylphosphorane (Ph3PNNC), 3-methylcyclopentene-1,2-dione and dimethyl acetylenedicarboxylate. Also, optimized geometry and nuclear magnetic resonance ...
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Dimethyl (z)-2-[(2-methyl-5-oxo-1-cyclopentyl)oxy]-2-butenedioate has been synthesized using one-pot three component reaction between N-isocyaniminotriphenylphosphorane (Ph3PNNC), 3-methylcyclopentene-1,2-dione and dimethyl acetylenedicarboxylate. Also, optimized geometry and nuclear magnetic resonance ( NMR ) of the title compound are evaluated using HF and B3LYP methods and 6-311+G(d) basis set. Moreover, the 1H and 13C NMR chemical shift values of the molecule are calculated and compared with experimental results. Frontier molecular orbitals (FMOs), total density of states (DOS), electronic properties, natural charges, NMR parameters and NBO analysis for product were calculated by theoretical calculations. Finally, molecular electrostatic potential (MEP) surface is obtained for understanding the active regions of molecule.
Organic chemistry
Ali Jafari; Ali Ramazani; Sang Woo Joo; Yavar Ahmadi; Fariba Sadri; Pegah Azimzadeh Asiabi
Volume 4, Issue 1, pp. 1-132, Serial No. 10 , January 2016, , Pages 42-56
Abstract
A green and convenient protocol is described for the preparation of 1-(alkylamino)-3-(1,3-dioxoisoindolin-2-yl)-2-methyl-1-oxopropan-2-yl benzoates via one-pot three-component reaction between 2-(2-oxopropyl)isoindoline-1,3-dione, an alkyl isocyanide and an aromatic carboxylic acid in water at room temperature. ...
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A green and convenient protocol is described for the preparation of 1-(alkylamino)-3-(1,3-dioxoisoindolin-2-yl)-2-methyl-1-oxopropan-2-yl benzoates via one-pot three-component reaction between 2-(2-oxopropyl)isoindoline-1,3-dione, an alkyl isocyanide and an aromatic carboxylic acid in water at room temperature. The methods used to follow the reactions are TLC and NMR, which indicated that there is no side product and the products were obtained without any purification. The structures of the products were deduced from their 1H NMR, 13C NMR and IR spectra. The present methodology offers several advantages such as a simple procedure, catalyst-free, mild reaction conditions, high yields, and the absence of any volatile and hazardous organic solvents.