波谱学杂志 ›› 2017, Vol. 34 ›› Issue (1): 25-34.doi: 10.11938/cjmr20170104

• 研究论文 • 上一篇    下一篇

含苯并咪唑环N-酰腙衍生物的NMR研究

李英俊1, 李继阳1, 靳焜2, 曹欣1   

  1. 1. 辽宁师范大学 化学化工学院, 辽宁 大连 116029;
    2. 大连理工大学 精细化工国家重点实验室, 辽宁 大连 116023
  • 收稿日期:2016-08-05 修回日期:2017-01-04 出版日期:2017-03-05 发布日期:2017-03-05
  • 通讯作者: 李英俊,Tel:0411-82158329,E-mail:chemlab.lnnu@163.com E-mail:chemlab.lnnu@163.com
  • 基金资助:
    辽宁省自然科学基金资助项目(20102126)

An NMR Study of a Novel N-Acylhydrazone Derivative Containing Benzimidazole Moiety

LI Ying-jun1, LI Ji-yang1, JIN Kun2, CAO Xin1   

  1. 1. College of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029, China;
    2. State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116023, China
  • Received:2016-08-05 Revised:2017-01-04 Online:2017-03-05 Published:2017-03-05

摘要: 应用1H NMR、13C NMR、1H-1H COSY、NOESY、1H-13C HSQC、1H-13C HMBC和变温1H NMR等多种NMR技术,对新化合物1,即N'-[(4-NN-二甲基)苯基]亚甲基-2-(4-甲基苯氧甲基)苯并咪唑-1-乙酰肼的两种异构体(E/transE/cis)的1H和13C NMR信号进行了全归属,测量了相应的偶合常数(J值)以及异构体所占的比例.实验结果表明,此新化合物在DMSO-d6中存在着E/transE/cis两种异构体的互变,且E/cis异构体含量为74.2%.

关键词: 核磁共振(NMR), 归属, 互变异构, 酰腙, 苯并咪唑

Abstract: With 1D NMR, 2D NMR and variable-temperature 1H NMR, the 1H and 13C NMR chemical shift of two isomers (E/trans and E/cis) of a new N-acylhydrazone derivative containing benzimidazole moiety (new compound 1), naming 2-[2-(4-methylphenoxymethyl)-1H-benzimidazol-1-yl]-N'-{[4-(dimetilamino)phenyl]methylene}acetohydrazide, were assigned. Coupling constants and tautomeric ratios of the isomers were determined. Experimental results showed that compound 1 in DMSO-d6 had both E/trans and E/cis isomers, and the ratio of the dominant E/cis isomer was 74.2%.

Key words: nuclear magnetic resonance (NMR), benzimidazole, assignment, tautomerism, acylhydrazone

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