在无水乙醇和KOH存在下,将2-(4-氯苯氧甲基-1-苯并咪唑乙酰肼(1)与CS2反应,合成出了中间体酰肼二硫代甲酸钾盐.此中间体再与过量的水合肼反应,经环化得到一种新化合物4-氨基-5-[2-(4-氯苯氧甲基)苯并咪唑-1-亚甲基]-1,2,4-三唑-硫酮.采用元素分析、IR及NMR技术确定了新化合物的结构,并利用2D NMR技术对其两种异构体(硫酮和硫醇)的(1)H和(13)C NMR谱带进行了全归属,给出了相应的偶合常数J值以及异构体所占的比例.实验表明,新化合物在DMSO中存在硫酮和硫醇两种异构体的互变,并且硫酮占主导,含量为81.9%,而硫醇的含量仅为18.1%.%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％.
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