Microwave Assistant Synthesis, Crystal Structure and Biological Activity of 1-(2-Fluorobenzyl)-3-methoxy- 4-methyl-1H-1,2,4-triazol-5(4H)-one

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摘要

The title compound 1-(2-fluorobenzyl)-3-methoxy-4-methyl-1H-1,2,4-triazol- 5(4H)-one (C11H12FN3O2) was synthesized, and its structure was confirmed by 1H NMR, IR, MS, elemental analysis and X-ray diffraction. It crystallizes in the monoclinic system, space group P with a = 6.919(3), b = 8.525(4), c = 9.811(4) Å, α = 84.22(2), β = 71.028(19), γ = 86.10(2)°, Dc = 1.448 g/cm3, Z = 2, V = 544.2(4) Å3, F(000) = 248, the final R = 0.0379 and wR = 0.0913 for 1709 observed reflections with I > 2σ(I). The preliminary biological test shows that the title compound shows weak inhibitory activities against Phytophthora infestans, Botrytis cinerea, Corynespora cassiicola, Rhizoctonia solani and Pythium ultimum.

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	雷超
	申屠超

关键词 ： 1,2,4-triazole, synthesis, crystal structure, fungicidal activities

Abstract：The title compound 1-(2-fluorobenzyl)-3-methoxy-4-methyl-1H-1,2,4-triazol- 5(4H)-one (C11H12FN3O2) was synthesized, and its structure was confirmed by 1H NMR, IR, MS, elemental analysis and X-ray diffraction. It crystallizes in the monoclinic system, space group P with a = 6.919(3), b = 8.525(4), c = 9.811(4) Å, α = 84.22(2), β = 71.028(19), γ = 86.10(2)°, Dc = 1.448 g/cm3, Z = 2, V = 544.2(4) Å3, F(000) = 248, the final R = 0.0379 and wR = 0.0913 for 1709 observed reflections with I > 2σ(I). The preliminary biological test shows that the title compound shows weak inhibitory activities against Phytophthora infestans, Botrytis cinerea, Corynespora cassiicola, Rhizoctonia solani and Pythium ultimum.

Key words： 1,2,4-triazole synthesis crystal structure fungicidal activities

收稿日期: 2015-03-26 出版日期: 2015-11-11

基金资助:The paper was supported by Applied Chemistry Foundation of Zhejiang Shuren University (YH2013S09)

通讯作者: leichaoshuren@163.com E-mail: leichaoshuren@163.com

引用本文:

雷超;申屠超. Microwave Assistant Synthesis, Crystal Structure and Biological Activity of 1-(2-Fluorobenzyl)-3-methoxy- 4-methyl-1H-1,2,4-triazol-5(4H)-one[J]. 结构化学, 2015, 34(11): 1659-1664.
LEI Chao;SHEN Tu-Chao. Microwave Assistant Synthesis, Crystal Structure and Biological Activity of 1-(2-Fluorobenzyl)-3-methoxy- 4-methyl-1H-1,2,4-triazol-5(4H)-one. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2015, 34(11): 1659-1664.

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http://manu30.magtech.com.cn/jghx/CN/ 或 http://manu30.magtech.com.cn/jghx/CN/Y2015/V34/I11/1659

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