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O-乙基O-芳基N-异丙基硫代磷酰胺酯(Ⅰ)具有除草活性,为了研究这类化合物的结构与活性的定量关系,用O-乙基O-芳基硫代磷酰氯与异丙胺在40％NaOH存在下于0℃反应,制得了30余个化合物Ⅰ,收率及纯度均较理想。并发现化合物的活性大小与苯环上取代基密切相关。根据Hansch方程,发现化合物Ⅰ抑制稗草生长的活性与其苯环上取代基的亲脂性参数π,空间效应参数E_s,电子效应参数σ及场效应参数F密切相关。分别用实验测得的△R_m及△δ_p代替π及σ和F进行回归分析,亦可得较好的相关关系。文中讨论了该两项实验参数在结构与活性定量关系研究中的实用意义。
O-ethyl O-aryl N-isopropylthiophosphoramidate (I) has herbicidal activity. In order to study the quantitative relationship between the structure and the activity of such compounds, O-ethyl O-aryl phosphorothioate Acyl chloride and isopropylamine in the presence of 40% NaOH at 0 ° C, prepared more than 30 compounds Ⅰ, the yield and purity were better. And found that the size of the compound activity and benzene ring substituents are closely related. According to the Hansch equation, the activity of compound I to inhibit the growth of barnyardgrass was closely related to the lipophilicity parameter π, the space effect parameter E_s, the electronic effect parameter σ and the field effect parameter F on the benzene ring. Regression analysis was carried out by using the experimentally measured ΔR_m and Δδ_p instead of π and σ, respectively. Good correlations were also obtained. In this paper, the practical significance of the two experimental parameters in the quantitative relationship between structure and activity is discussed.