文章基本信息

标题：Understanding the Chemoselectivity and Stereoselectivity in Michael Addition Reactions of β-Hydroxyparthenolides and Amines such as Pyrrolidine, Morpholine, Piperidine and 1-Methylpiperazine: a DFT Study
本地全文：下载
作者：Zoubir M. ; Zeroual A. ; El Idrissi M. 等
期刊名称：Journal of Materials and Environmental Science
印刷版ISSN：2028-2508
出版年度：2017
卷号：8
期号：3
页码：990-996
出版社：University of Mohammed Premier Oujda
摘要：The chemoselectivity and stereospecificity of the Michael addition of the 9β-hydroxyparthenolides with amines such as pyrrolidine, morpholine, piperidine and1-methylpiperazine were studied with several theoretical approaches, activationenergies and reactivity indexes derived from the DFT. The calculations wereperformed using DFT B3LYP / 6-31G (d, p) and the results were in agreementwith experimental observations.
关键词：β;hydroxyparthenolides; Michael addition; chemoselectivity; stereospecificity; DFT B3LYP / 6;31G (d; p).