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3-(2-氧代环己基)丙酸与(R)-四氢噻唑-2-硫酮-4-羧酸乙酯的反应及其量子化学研究

Reaction and Quantum Chemistry Studies of 3-(2-Oxocyclohexyl)Propionic Acid with (R)-Thiazolidine-2-thione-4-cEthyl Ester
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摘要 由L-半胱氨酸乙酯与二硫化碳在Et3N存在下反应,得到光学活性(R)-四氢噻唑-2-硫酮-4-羧酸乙酯,后者同3-(2-氧代环已基)丙酸在N,N-二环己基胺二亚胺(DCC)存在下反应,得到光学活性(R)-N-3-(2-氧代环己基)丙酰四氢噻唑2-硫酮-4-羧酯乙酯及光学活性的3-(2-氧代环己基)丙酸.用半经验的量子化学PM3方法研究反应物和产物的最优构型与电子结构. (R)-thiazolidine-2-thione-4-ethyl ester was prepared by the reaction of Lteine ethyl ester with CS2 in the presence of Et3N and NiSO4 in a 79.0% yield. The optically active N3-(2-oxocyclohexyl)propionylthiazolidine-2-thione-4-carboxylic ethyl ester was synthesized from 3-(2-oxocycolhexyl)propionic acid and (R)-thiazolidine-2-thione-4-carboxylic ethyl by using dicyclohexylcarbodiimide(DCC)as the condensing agent. In the mean time optically active S-excess 3-(2-oxocycolhexyl)propionic acid was separated. The optimized conifiguration and electronic structure of the products and reactants were studied by means of molucular orbinal PM3 method.
机构地区 吉林大学化学系
出处 《吉林大学自然科学学报》 CSCD 1998年第3期103-106,共4页 Acta Scientiarum Naturalium Universitatis Jilinensis
基金 国家自然科学基金
关键词 四氢噻唑 硫酮 羧酸乙酯 氧代环己基 丙酸 (R)-thiazolidine-2-thione-4-carboxylic ethtl ester (R)-N-3-(2-oxocycolhexyl)propionylthiazolidine-2-thione-4-carboxylic ethyl ester optimized configuration electronic sturcture
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