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为了寻找活性更高和作用更温和的除草剂,研究了氯喹酸(3,7-二氯-8-喹啉羧酸)酯类衍生物的结构与活性的关系。合成了12种相关酯类衍生物,并测定了这些酯的生物活性。用Hansch多元线性回归分析方法建立了3个相关的定量构效关系(QSAR)方程。QSAR方程表明,此类化合物的生物活性与取代基的空间效应和电子效应参数呈线性关系,而且综合两种效应的构效关系方程优于单一效应的构效关系方程。对QSAR方程分析结果表明,烯丙基(—CH_2—CH=CH_2)取代的氯喹酸酯是活性最高且作用温和的除草剂。
In order to find more active and more moderate herbicides, the relationship between the structure and activity of (3,7-dichloro-8-quinolinecarboxylic acid) ester derivatives of chloroquinic acid was studied. Twelve related ester derivatives were synthesized and the biological activity of these esters was determined. Three correlation QSAR equations were established using Hansch multiple linear regression analysis. The QSAR equation shows that the biological activity of these compounds is linear with the space effect and electronic effect parameters of the substituents, and the structure-activity relational equation of the two effects is better than the single-effect structure-activity relationship equation. The results of QSAR equation analysis showed that allyl (-CH_2-CH = CH_2) substituted chloroquinate was the most active and mild herbicide.