高等学校化学学报

高等学校化学学报 ›› 2000, Vol. 21 ›› Issue (11): 1671.

• 论文 • 上一篇    下一篇

B环对位取代异黄酮化合物的核磁共振研究

刘澎1, 陈荣峰1, 常俊标1, 谢晶曦2   

  1. 1. 河南化学研究所, 郑州 450002;
    2. 中国协和医科大学, 中国医学科学院, 北京 100050
  • 收稿日期:1999-09-22 出版日期:2000-11-24 发布日期:2000-11-24
  • 通讯作者: 常俊标(1963年出生),男,教授,从事药物化学研究.
  • 基金资助:

    国家自然科学基金(批准号:29972009)资助

1H NMR Studies on Synthetic Isoflavones with p-Substituents on B Ring

LIU Peng1, CHEN Rong-Feng1, CHANG Jun-Biao1, XIE Jing-Xi2   

  1. 1. Henan Institute of Chemistry, Zhengzhou 450003, China;
    2. Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China
  • Received:1999-09-22 Online:2000-11-24 Published:2000-11-24

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被引次数

34

摘要： 对14个合成的B环对位取代异黄酮化合物核磁共振氢谱进行了研究.利用超导核磁共振归属了B环无取代异黄酮质子的化学位移,根据取代基化学位移的变化影响规律考察了取代基对分子的影响方式.研究结果表明,2'(6'),3'(5')位质子共振迁移分别与取代基参数σp和So线性相关,说明4'位取代基主要通过电子效应影响其间位质子,其磁各向异性仅影响邻位质子,该取代基对A环质子影响不大,而对C环尤其是对2-H影响较明显.

关键词: 异黄酮, 核磁共振, 共振迁移

Abstract: In this paper, 1H NMR study on fourteen isoflavones with various p substituents on B ring is reported. The effects of substituents on the chemical shifts of A, B and C ring protons are discussed. Unambiguous assignments of unsubstituted B ring 1H resonance spectra were made with the aid of superconductive NMR spectroanalysis. There is a linear relationship between the chemical shifts of B ring protons and the substituent parameters. The chemical shifts of 2'(6')-1H and 3'(5')-1H show a linear correlation with Hammett constants σp and substituent parameter S0 respectively. The resonance shifts of 3'(5')-1H arise from the electron and magnetic anisotropy effects, while the resonance shifts of 2'(6')-1H respond to the electron effects of the substituents primarily.

Key words: Isoflavones, 1H NMR, Resonance shift

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