2-(benzylthio)-6-(2-bromo-6-(2-(2-bromo-4-(trifluoromethyl)phenyl)acetamido)benzamido)-N-methylbenzamide | 1447018-13-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(benzylthio)-6-(2-bromo-6-(2-(2-bromo-4-(trifluoromethyl)phenyl)acetamido)benzamido)-N-methylbenzamide
• CAS: 1447018-13-4
• 化学式: C₃₁H₂₄Br₂F₃N₃O₃S
• 分子量: 735.419
• InChiKey: YRFQAOSKZZIJKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.32
• 重原子数：
  43.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  87.3
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-氨基-6-溴苯甲酸 在 potassium carbonate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 2-(benzylthio)-6-(2-bromo-6-(2-(2-bromo-4-(trifluoromethyl)phenyl)acetamido)benzamido)-N-methylbenzamide
  参考文献：
  名称：

  Design, synthesis and insecticidal activity of novel anthranilic diamides with benzyl sulfide scaffold

  摘要：

  A series of novel anthranilic diamides with benzyl sulfide scaffold were synthesized, in which N-pyridylpyrazole moiety generally regarded as key pharmacophore was abandoned. The target compounds were characterized by H-1 NMR, C-13 NMR, F-19 NMR and HRMS. The preliminary bioassays indicated that half of the title compounds were endowed with good insecticidal activities against armyworm (Mythimna sepatara) at the concentration of 500 mg/L. Exhilaratingly, the synthesized compound 3a was also active against Tetranychus cinnabarinus at 100 mg/L. The difference in activities between the target compounds was influenced by the substituents, which provided some hints for further investigation on structure modifications. (c) 2013 Zhong Li. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.04.047