波谱学杂志

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一个含苯并咪唑环的酰氨基硫脲NMR研究

李英俊*,邱文龙,许永廷,罗潼川,于洋,邵昕   

  1. 辽宁师范大学 化学化工学院,辽宁 大连 116029
  • 收稿日期:2012-06-08 修回日期:2012-07-02 出版日期:2013-03-05 发布日期:2013-03-05
  • 通讯作者: 李英俊,电话:0411-84258329,E-mail: chemlab.lnnu@163.com. E-mail:chemlab.lnnu@163.com
  • 作者简介:李英俊,电话:0411-84258329,E-mail: chemlab.lnnu@163.com.
  • 基金资助:

    Natural Science Foundation of Liaoning Province (20102126).

An NMR Study on An Acylthiosemicarbazide Containing Benzimidazole Moiety

LI Ying-jun*, QIU Wen-long, XU Yong-ting, LUO Tong-chuan, YU Yang, SHAO Xin   

  1. College of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029, China
  • Received:2012-06-08 Revised:2012-07-02 Online:2013-03-05 Published:2013-03-05
  • Contact: Li Ying-jun(1961-),female,born in Changsha,Hunan,MSc.,professor,specializing in Organic Chemistry. Tel: 0411-84258329,E-mail: chemlab.lnnu@163.com. E-mail:chemlab.lnnu@163.com
  • About author:Li Ying-jun(1961-),female,born in Changsha,Hunan,MSc.,professor,specializing in Organic Chemistry. Tel: 0411-84258329,E-mail: chemlab.lnnu@163.com.
  • Supported by:

    Natural Science Foundation of Liaoning Province (20102126).

摘要:

该文合成了一个新的在医药方面具有潜在应用价值的含苯并咪唑环的酰氨基硫脲化合物,即4-(4-甲氧基苯基)-1-[2-(4-硝基苯氧基甲基)-苯并咪唑-1-基\]甲酰基氨基硫脲,并利用元素分析、IR和NMR对其结构进行了表征. 通过NOESY谱确定了其两种异构体(AB)的构型,并利用2D NMR技术对它们的1H NMR 和13C NMR谱进行了全归属,给出了相应的偶合常数和两种异构体的含量.

关键词: 核磁共振(NMR), 归属, 2D NMR, 4-(4-甲氧基苯基)-1-[2-(4-硝基苯氧基甲基)-苯并咪唑-1-基]甲酰基氨基硫脲, 构型分析

Abstract:

A novel compound with potential pharmaceutical applications, 4-(4-methoxyphenyl)-1-{[2-(4-nitrophenoxymethyl)-benzimidazol-1-yl]methyl}carbonylthiosemicarbazide (1) was synthesized. Its structure was determined by elemental analysis, IR and NMR techniques. The existence of two isomers of compound 1 were confirmed by NOESY spectroscopy. The 1H  and 13C NMR signals of the isomers were assigned completely using 2D NMR techniques, and the corresponding coupling constants and the tautomeric ratios of isomers were also reported.

Key words: NMR, assignment, 2D NMR, 4-(4-methoxyphenyl)-1-{[2-(4-nitrophenoxymethyl)-benzimidazol-1-yl]methyl}-carbonylthiosemicarbazide, conformational analysis

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