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Chin. J. Org. Chem. ›› 2009, Vol. 29 ›› Issue (04): 638-642. Previous Articles     Next Articles

Reports

具有除草活性的3-(嘧啶基-2)-1,3,4-噁二唑-2(3H)-酮衍生物的设计、 合成与定量构效关系的研究

朱有全; 刘卫敏; 刘 斌 ; 胡方中
朱 然; 邹小毛* ; 杨华铮*
  

  1. (南开大学元素有机化学研究所 元素有机化学国家重点实验室 天津 300071)
  • 收稿日期:2008-08-10 修回日期:2008-10-23 发布日期:2009-04-20
  • 通讯作者: 邹小毛* ; 杨华铮*

Design, Synthesis and Quantitative Structure-Activity Relationship Study of Herbicidal Analogues of 3-(Pyrimidin-2-yl)-2,3- dihydro-1,3,4-oxadiazol-2-ones

Zhu, Youquan ; Liu, Weimin; Liu, Bin ; Hu, Fangzhong;
Zhu, Ran; Zou, Xiaomao* ; Yang, Huazheng*
  

  1. (State Key Laboratory of Elemento-organic Chemistry, Institute of Elemento-organic Chemistry,
    Nankai University, Tianjin 300071)
  • Received:2008-08-10 Revised:2008-10-23 Published:2009-04-20
  • Contact: Zou, Xiaomao* ; Yang, Huazheng*

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A series of 5-tert-butyl-3-(pyrimidin-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one derivatives were designed, synthesized and structually confirmed by 1H NMR, IR spectra and elemental analysis. The bioassay results showed that some of these compounds exhibited good herbicidal activity. Quantitative structure-activity relationship studies showed that their herbicidal activity was correlated with the steric and electronic physicochemical parameters, where the correlation coefficients were larger than 0.8. The herbicidal activity against Brassica campestris was mainly effected by the Es of ortho-R2 and the electronic parameter of R2. The herbicidal activity against E. crus-galli was mainly related with Taft (Es) of the ortho-R2 and the electronic parameter of the meta-R2.

Key words: pyrimidine, herbicidal activity, 1,3,4-oxadiazol-2(3H)-one, quantitative structure-activity relationship (QSAR)