高等学校化学学报 ›› 1993, Vol. 14 ›› Issue (2): 200.

• 研究论文 • 上一篇    下一篇

α-氨基膦酸酯与N-氯乙酰基甘氨酸乙酯反应机理的研究

严波1, 赖城明1, 林少凡2, 张跃华3, 陈茹玉3   

  1. 1. 南开大学化学系, 天津 300071;
    2. 南开大学中心实验室;
    3. 南开大学元素有机化学研究所
  • 收稿日期:1992-03-11 修回日期:1992-09-29 出版日期:1993-02-24 发布日期:1993-02-24
  • 通讯作者: 赖城明
  • 基金资助:

    国家自然科学基金

Studies on Reaction Mechanism of a-Aminoalkyl Phosphonate Ester and N-Chloroacetyl Glycine Ethyl Ester

YAN Bo1, LAI Cheng-Ming1, LIN Shao-Fan2, ZHANG Yue-Hua3, CHEN Ru-Yu3   

  1. Nantai Univerisyt, Tanjin, 300071
  • Received:1992-03-11 Revised:1992-09-29 Online:1993-02-24 Published:1993-02-24

摘要: 用MMX分子力学程序以及分子图形学方法对α-氨基膦酸酯与N-氯乙酰基甘氨酸乙酯反应的机理进行了探讨。结果表明,此类反应热力学因素不起主要作用,动力学因素起主要作用,取代基空间效应是影响反应历程的重要因素。

关键词: 分子力学, 空间效应, 构象, 反应历程

Abstract: MMXmolecular mechanics program and molecular graph program were used for studying the reaction mechanism of a-aminoalkyl phosphonate ester and N-chloroacetyl glycine ethyl ester.It is found that the thermodynamics is not important factor, the kinetics factor is important, but their conformations play an important role.If the reactants have similar conformations, the products also have similar conformations, they maybe undergo the same reaction mechanism.

Key words: Molecular mechanics, Sterlc effect, Conformation, Reaction mechanism

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