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KMID : 0903519910340030287
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Journal of the Korean Society of Agricultural Chemistry and Biotechnology
1991 Volume.34 No. 3 p.287 ~ p.294
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Herbicidal activity and molecular design of benzotriazole derivatives
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Abstract
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The relationships between the quantitative structure of benzotriazoles and their post-emergence growth inhibiting activity(pI_(50)) against Oryxae saliva L. and Echinochloa crus galli were investigated using a generalized quantitative structure activity relationships (QSAR). According to the QSAR analysis, the free radical parameter (E_R) is a very important factor and the growth inhibiting activity values showed parabolic relation to ER parameter of para-substituents(X). The activity of (3) was superior to those of (4) and (3b) is selected as the most highly effective compound. The optimal values of ER parameter of the growth inhibiting activity aganist E.crus-galli are F_R(3)=0.52 and E_R(4)=0.15, respectively. From the result of molecular design, the substituents(X) of electron withdrawing properties and E_R parameter of optimal value(0.52) were most desirable for high activity of the benzotriazoles. And in view of this, benzotriazoles may also be effective in blocking the photosynthetic electron transfer.
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