分析化学2011，Vol.39Issue(6)：902-905,4.DOI:10.3724/SP.J.1096.2011.00902
4-氨基-5-[2-(4-氯苯氧甲基)苯并咪唑-1-亚甲基]-1,2,4-三唑-3-硫酮的核磁共振研究
Study on Nuclear Magnetic Resonance of 4-Amino-5-[2-(4-chlorophenoxymethyl) benzimidazole-l-methylene] -1,2,4-triazole-3-thione
摘要
Abstract
A new compound, 4-amino-5-[2-(4-chlorophenoxymethyl) benzimidazole-l-methyl-ene-1, 2,4-triazole-3-thione (3), was synthesized bythe reaction of the potassium dithiocarbazinate (2) with excess hydrazine hydrate. The compound 2 was obtained by the reaction of the hydrazide (1) with carbon disulfide in the presence of absolute ethanol and potassium hydroxide. The structure of the new compound 3 was determined by elemental analysis, IR and NMR techniques. The 1H and 13C NMR signals of two isomers (thione and thiol) of the compound 3 were assigned completely using 2D NMR techniques, and the corresponding coupling constants and the tautomeric ratios of isomers were also given out. Experimental results show that the target compound 3 in dimethyl-sulfoxide (DMSO) exists in the tautomerism of the thione and thiol, and the ratio of the dominant thione was 81.9％, while the thiol was 18.1％.关键词
1,2,4-三唑类衍生物/核磁共振波谱/结构解析/互变异构Key words
4-Amino-5-[- 2-( 4-chlorophenoxymethyl ) benzimidazole-l-methylene]-l, 2, 4-triazole-3-thione/ Nuclear magnetic resonance spectroscopy/ Structure analysis/ Tautomerism引用本文复制引用
李英俊,刘丽军,许永廷,孙淑琴..4-氨基-5-[2-(4-氯苯氧甲基)苯并咪唑-1-亚甲基]-1,2,4-三唑-3-硫酮的核磁共振研究[J].分析化学,2011,39(6):902-905,4.基金项目
本文系辽宁省自然科学基金(No.20102126)和辽宁省教育厅高等学校科研基金(No.2008345)资助. （No.20102126）
