苯乙基哌啶酮相关反应量子化学计算研究
Quantum Chemical Calculation of the Reaction Related Phenethylpiperidone
DOI: 10.12677/CC.2018.23014, PDF,   
作者: 杨博文, 邵开元, 胡文祥：北京神剑天军医学科学院京东祥鹄微波化学联合实验室，北京；赵志刚：西南民族大学化学与环境保护工程学院，四川 成都
关键词: 量子化学计算；净亲电指数；Wiberg键级；Michael加成；Dieckmann缩合；席夫碱；Quantum Chemistry Calculation； Net Electrophilic Index； Wiberg Bond Level； Michael Addition； Dieckmann Condensation； Schiff Base
摘要: 本文通过量子化学计算所得的净亲电指数及Wiberg键级，阐明了苯乙基哌啶酮合成过程中的Michael加成和Dieckmann缩合反应机理，说明了从苯乙基哌啶酮生成席夫碱的反应活性，具有一定的理论意义。
Abstract: In this paper, the mechanism of Michael addition and Dieckmann condensation in the synthesis of phenethylpiperidone and the activity reaction of Schiff base from phenethylpiperidone were elu-cidated by the net electrophilic index and Wiberg bond level calculated by quantum chemistry. It has certain theoretical significance.
文章引用：杨博文, 赵志刚, 邵开元, 胡文祥. 苯乙基哌啶酮相关反应量子化学计算研究[J]. 比较化学, 2018, 2(3): 114-123. https://doi.org/10.12677/CC.2018.23014

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