Chinese Journal of Magnetic Resonance

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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).

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

CLC Number: