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合成了对甲苯磺酰 -α萘胺 (A)和对甲苯磺酰 -β萘胺 (B)一对同分异构体 ,用红外光谱、紫外光谱和多晶 X-射线粉末衍射方法进行了结构表征 ,并利用 AM1程序进行了量子化学计算。IR测定结果表明化合物 (A)中 N- H振动的伸缩频率 (νN- H)比化合物 (B)高出 40～ 5 0 cm- 1 ,且其 UV中 n→π跃迁的 R带向长波方向移动 ,并与 B带合并成一宽带 ,与化合物 (B)相区别。X-射线粉末衍射物相分析的结果又进一步证实了化合物 (A)和 (B)是两种完全不同的物相。采用半离体生物测试方法测定了苯磺酰萘胺类抑制油菜胚根生长的活性数据 ,发现对甲苯磺酰 - β萘胺 (B)有一定的生物活性 ,与量子化学计算结果相吻合。
A pair of isomers of p-toluenesulfonyl-α-naphthylamine (A) and p-toluenesulfonyl-β-naphthylamine (B) were synthesized and characterized by FTIR, UV and polycrystalline X-ray powder diffraction Structural characterization and quantum chemistry calculations using the AM1 program. The results of IR showed that the stretching frequency (νN-H) of N-H vibration in compound (A) was 40 ~ 50 cm -1 higher than that of compound (B) Move, and merge with B belt into a broadband, and compound (B) distinguish. The results of X-ray powder diffraction phase analysis further confirm that compounds (A) and (B) are two completely different phases. The semisynthetic bioassay was used to determine the inhibitory effect of benzenesulfonamides on the radicle growth of rapeseed. The results showed that p-toluenesulfonyl-β-naphthylamine (B) had some biological activity, which was in good agreement with the quantum chemistry calculation.