含苯并咪唑环N-酰腙衍生物的NMR研究

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%.

An NMR Study of a Novel N-Acylhydrazone Derivative Containing Benzimidazole Moiety

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%.