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有机化学
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有机化学 ›› 2007, Vol. 27 ›› Issue (04): 502-506. 上一篇    下一篇

研究论文

N-取代苯甲酰基-N'-取代芳基硫脲的合成、晶体结构及生物活性

彭浩，贺红武*   

  1. (华中师范大学化学学院教育部农药与化学生物学重点实验室 武汉 430079)
  • 收稿日期:2006-08-01 修回日期:1900-01-01 发布日期:2007-03-29
  • 通讯作者: 贺红武

Synthesis, Crystal Structure and Biological Activity of N-Substituted Benzoyl-N'-substituted Arylthiourea

PENG Hao, HE Hong-Wu*   

  1. (Key Laboratory of Pesticide & Chemical Biology of Ministry of Education, College of Chemitry,
    Central China Normal University, Wuhan 430079)
  • Received:2006-08-01 Revised:1900-01-01 Published:2007-03-29
  • Contact: HE Hong-Wu

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为了寻找新的高活性农药, 利用工业易得的三氟羧草醚及其中间体为起始原料, 设计合成了9个未见报道的N-取代苯甲酰基-N'-取代芳基硫脲化合物, 结构经IR, 1H NMR, 元素分析确认. X射线衍射测定了化合物4b的晶体结构, 结果表明: 其分子属于三斜晶系, 空间群P-1, a＝0.51588(19) nm, b＝1.0766(4) nm, c＝2.0596(8) nm, α＝81.113(6)°, β＝89.702(6)°, γ＝78.131(6)°, V＝1.1056(7) nm3, Dc＝1.445 Mg/m3, Z＝2, F(000)＝492, μ＝0.319 mm－1. 初步生物活性测试结果表明, 部分化合物具有较好的除草活性.

关键词: 酰基硫脲, 3-(2-氯-4-三氟甲基苯氧基)苯甲酸, 晶体结构, 三氟羧草醚

In order to find high active pesticide, nine novel compounds of N-substituted ben-zoyl-N'-substituted arylthiourea were synthesized starting from industrial acifluorfen and its intermediate. Their structures were characterized by IR, 1H NMR spectra and elemental analysis. The single crystal structure of compound 4b was determined by X-ray diffraction analysis. The crystal belongs to triclinic with space group P-1, a＝0.51588(19) nm, b＝1.0766(4) nm, c＝2.0596(8) nm, α＝81.113(6)°, β＝89.702(6)°, γ＝78.131(6)°, V＝1.1056(7) nm3, Dc＝1.445 Mg/m3, Z＝2, F(000)＝492, μ＝0.319 mm－1. The preliminary biological tests showed that some of these title compounds have herbicidal activities.

Key words: 3-(2-chloro-4-trifluoromethylphenoxy)benzoic acid, acifluorfen, crystal structure, acylthiourea