波谱学杂志

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1,2-取代乙烯衍生物结构的核磁共振研究

姜丹*,缪振春   

  1. 军事医学科学院 毒物药物研究所,北京 100850
  • 收稿日期:2012-05-21 修回日期:2012-07-15 出版日期:2013-03-05 发布日期:2013-03-05
  • 通讯作者: 姜丹(1972-),女,江苏丹阳人,硕士,助理研究员,从事药物分析与未知物鉴定.电话:13671259606,E-mail:jiangdan@263.net.cn. E-mail:jiangdan@263.net.cn
  • 作者简介:姜丹(1972-),女,江苏丹阳人,硕士,助理研究员,从事药物分析与未知物鉴定.电话:13671259606,E-mail:jiangdan@263.net.cn.

An NMR Study on 1,2-Substituted Ethylene Derivatives

JIANG Dan*,  MIAO Zhen-chun   

  1. Institute of Pharmacology and Toxicology, Academy of Military Medical Sciences, Beijing 100850, China
  • Received:2012-05-21 Revised:2012-07-15 Online:2013-03-05 Published:2013-03-05
  • Contact: Jiang Dan,Tel: 13671259606,E-mail:jiangdan@263.net.cn. E-mail:jiangdan@263.net.cn
  • About author:Jiang Dan,Tel: 13671259606,E-mail:jiangdan@263.net.cn.

摘要:

该文对1,2-取代乙烯衍生物的化学结构的NMR测定方法进行了研究. 结果表明,多频率位移激发双梯度自旋回波1D NOE新方法用于阐明这类化合物的化学结构具有独到之处. 强偶合自旋体系信号的选择性粒子数转移 (SPT)影响可得到有效抑制,NOE信号为吸收型,微小(约0.8%)的NOE信号也可明确测定,重叠复杂的谱峰可分离和辨认,测定顺反异构体不需要标准样品对照,结果准确、可靠. 该文以2-甲氧基-4-(2-苯基-2-环己基氨基甲酰基-乙烯基)-乙酸苯酯为例,阐明1D NOE方法在1,2-取代乙烯衍生物的化学结构和立体化学研究中的应用.

关键词: 核磁共振(NMR), 1, 2-取代乙烯衍生物, 1D NOE, 立体化学

Abstract:

The chemical structures of 1,2-substituted ethylene derivatives were studied by NMR spectroscopy. Multiple-frequency selective excitation double pulsed field gradient spin echo 1D NOESY technique was found to be effective for structural elucidation of  1,2-substituted ethylene derivatives. High-quality NOE spectra were obtained, with elimination of selective population transfer (SPT). The usefulness of 1D NOE in the structural elucidation of  1,2-substituted ethylene derivatives was demonstrated using acetic acid 4-(2-cyclohexylcarbamoyl-2-phenyl-vinyl)-2-methoxy-phenyl ester as the example.

Key words: NMR, 1,2-substituted ethylene derivatives, 1D NOE, stereochemistry

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