Synthesis, Crystal Structure and Biological Activity of 2-(3,4-Dichloroisothiazol-5-yl)-4-(trifluoromethyl)-4,5-dihydrothiazol-4-yl-3-methylbenzoate

ZONG Guang-Ning LI Feng-Yun FAN Zhi-Jin MAO Wu-Tao SONG Hai-Bin CHEN Lai ZHU Yu-Jie XU Jing-Hua SONG Yin-Qi WANG Jia-Ran

Citation:  ZONG Guang-Ning, LI Feng-Yun, FAN Zhi-Jin, MAO Wu-Tao, SONG Hai-Bin, CHEN Lai, ZHU Yu-Jie, XU Jing-Hua, SONG Yin-Qi, WANG Jia-Ran. Synthesis, Crystal Structure and Biological Activity of 2-(3,4-Dichloroisothiazol-5-yl)-4-(trifluoromethyl)-4,5-dihydrothiazol-4-yl-3-methylbenzoate[J]. Chinese Journal of Structural Chemistry, 2015, 34(6): 871-878. doi: 10.14102/j.cnki.0254-5861.2011-0598 shu

Synthesis, Crystal Structure and Biological Activity of 2-(3,4-Dichloroisothiazol-5-yl)-4-(trifluoromethyl)-4,5-dihydrothiazol-4-yl-3-methylbenzoate

  • 基金项目:

    This study was funded in part by the Tianjin Natural Science Foundation (No.14JCYBJC20400) (No.14JCYBJC20400)

    the "111" Project of Ministry of Education of China (No.B06005)  (No.B06005)

    NFFTBS (No.J1103306) (No.J1103306)

摘要: The title compound diethyl 2-(3,4-dichloroisothiazol-5-yl)-4-(trifluoromethyl)-4,5-dihydrothiazol-4-yl-3-methylbenzoate (C15H9Cl2F3N2O2S2, Mr=441.26) was prepared from methyl 3,4-dichloroisothiazole-5-carboxylate as the starting material by four steps of reaction. Its structure was characterized by IR, 1H-NMR, 13C-NMR, EA and single-crystal X-ray diffraction. The crystal of the title compound belongs to the monoclinic system, space group P21/c with a=8.8437(18), b=16.128(3), c=12.305(3) Å, β=91.68(3)°, V=1754.4(6) Å3, Z=4, Dc=1.671 g/cm3, μ(MoKa)=0.71073 mm-1, F(000)=888, R=0.0384 and wR=0.0778. Weak π-π interactions occur between the isothiazole rings and phenyl rings of adjacent molecules to form a one-dimensional chain and stabilize the crystal structure. Bioassay indicates that the title compound has good activity against the fungi and TMV tested.

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  • 收稿日期:  2014-12-08
  • 网络出版日期:  2015-03-31
通讯作者: 陈斌, bchen63@163.com
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