Synthesis, Crystal Structure, Herbicidal Activity and Docking Study of 4-Cyclopropyl-3-((4-fluorobenzyl)sulfonyl)-5-methyl-4H-1,2,4-triazole

【Author】

MIN Li-Jing;QIAO Li;WANG Han;HAN Liang;LIU Xing-Hai;College of Life Science, Huzhou University;College of Chemical Engineering, Zhejiang University of Technology;

【Institution】

College of Life Science, Huzhou University;College of Chemical Engineering, Zhejiang University of Technology;

【Abstract】

The title compound 4-cyclopropyl-3-((4-fluorobenzyl)sulfonyl) 5-methyl-4 H-1,2,4-triazole(C_(13)H_(14)FN_3O_2S) was synthesized, and its structure was confirmed by ~1H NMR, MS, elemental analysis and X-Ray diffraction. It crystallizes in monoclinic system, space group P2_(1/c) with a = 8.4920(17), b = 14.004(3), c = 11.349(2) ?, β = 102.80(3)°, V = 1316.1(5) ?~3, Z = 4, the final R = 0.0344 and wR = 0.0897 for 2049 observed reflections with I > 2σ(I). The preliminary biological test shows that the title compound has good herbicidal activities against Brassica campestris and moderate inhibitory against KARI. The docking was also studied.

【Keywords】

synthesis;;crystal structure;;biological activities;;docking

References

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Total: 26 articles

  • [1] ZHAO Wen;SHEN Zhong-Hua;XING Jia-Hua;XU Tian-Ming;PENG Wei-Li;LIU Xing-Hai;College of Chemical Engineering, Zhejiang University of Technology;Zhejiang Base of National Southern Pesticide Research Centre, Zhejiang Research Institute of Chemical Industry;, Synthesis,Characterization,Nematocidal Activity and Docking Study of Novel Pyrazole-4-carboxamide Derivatives, Chinese Journal of Structural Chemistry,
  • [2] JIN Tao;ZHAI Zhi-Wen;HAN Liang;WENG Jian-Quan;TAN Cheng-Xia;LIU Xing-Hai;College of Chemical Engineering,Zhejiang University of Technology;, Synthesis, Crystal Structure, Docking and Antifungal Activity of a New Pyrazole Acylurea Compound, Chinese Journal of Structural Chemistry,
  • [3] Cheng-Xia Tan;Yan-Xia Shi;Jian-Quan Weng;Xing-Hai Liu;Bao-Ju Li;Wei-Guang Zhao, Synthesis and Antifungal Activity of 1,2,4-triazole Derivatives Containing Cyclopropane Moiety, Letters in Drug Design and Discovery,
  • [4] Shui-Lin Yan;;Ming-Yan Yang;;Zhao-Hui Sun;;Li-Jing Min;;Cheng-Xia Tan;;Jian-Quan Weng;;Hong-Ke Wu;;Xing-Hai Liu, Synthesis and Antifungal Activity of 1,2,3-thiadiazole Derivatives Containing 1,3,4-thiadiazole Moiety, Letters in Drug Design & Discovery,

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