含苯并咪唑环N-酰腙衍生物的NMR研究

摘要

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%.%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-N,N-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/trans和E/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/trans和E/cis两种异构体的互变,且E/cis异构体含量为74.2%.