高等学校化学学报 ›› 1992, Vol. 13 ›› Issue (6): 837.

• 论文 • 上一篇    下一篇

N-4-戊烯基硝酮分子内环加成反应区域选择性的理论研究

马思渝, 傅孝愿   

  1. 北京师范大学化学系, 北京, 100875
  • 收稿日期:1991-04-21 出版日期:1992-06-24 发布日期:1992-06-24
  • 通讯作者: 傅孝愿
  • 基金资助:

    国家教育委员会博士点基金

Theoretical Study on the Regioselectivity of Intramolecular N-4-pentenyl Nitrone Cycloaddition

MA Si-yu, FU Xiao-yuan   

  1. Department of Chemistry, Beijing Normal University, Beijing, 100375
  • Received:1991-04-21 Online:1992-06-24 Published:1992-06-24

关键词: 区域选择性, N-4-戊烯基硝酮, 分子内环加成反应

Abstract: The reaction mechanism of the intramolecular cycloaddition of N-4-pentenyl nitrone was investigated theoretically by using AM1 MO method and transition state theory.There are two parallel reactions leading to two different regioisomers.The geometries of the reactants, TSand products were optimized.The ratio of the rate constant of the two reactions is 1.2 (at 383.75 K) and is in good consistence with experiments.

Key words: Regioselectivity, N-4-pentenyl nitrone, Intramolecular cycloaddition

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