2-(2-ethylsulfanyl-phenyl)-1-methyl-5-(1,2,2,2-tetrafluoro-1-trifluoromethyl-ethyl)-1H-benzimidazole | 1383947-17-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-(2-ethylsulfanyl-phenyl)-1-methyl-5-(1,2,2,2-tetrafluoro-1-trifluoromethyl-ethyl)-1H-benzimidazole
• 英文别名: 2-(2-ethylsulfanylphenyl)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzimidazole
• CAS: 1383947-17-8
• 化学式: C₁₉H₁₅F₇N₂S
• 分子量: 436.396
• InChiKey: IUKQUSVOWHDCGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-(1,2,2,2-tetrafluoro-1-trifluoromethyl-ethyl)-benzene-1,2-diamine 、 2-(乙基硫代)苯甲酸 在 sodium hydride 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 吡啶 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 10.0h， 生成 2-(2-ethylsulfanyl-phenyl)-1-methyl-5-(1,2,2,2-tetrafluoro-1-trifluoromethyl-ethyl)-1H-benzimidazole 、 2-(2-ethylsulfanyl-phenyl)-1-methyl-6-(1,2,2,2-tetrafluoro-1-trifluoromethyl-ethyl)-1H-benzimidazole
  参考文献：
  名称：

  [EN] FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF
  [FR] COMPOSÉ HÉTÉROCYCLIQUE FUSIONNÉ ET SON UTILISATION POUR LA LUTTE CONTRE LES RAVAGEURS

  摘要：

  一种融合的杂环化合物，其化学式（1）：其中A1代表-NR8-等；A2代表一个氮原子等；A3代表一个氮原子等；R1代表一个C1-C6链烃基，可选地具有来自X组的一个或多个原子或基团等；R2、R3、R4和R5相同或不同，独立地代表一个C1-C6链烃基，可选地具有一个或多个卤素原子等；R6和R7相同或不同，独立地代表一个C1-C6链烃基，可选地具有来自X组的一个或多个原子或基团等；R8代表一个C1-C6链烃基，可选地具有来自W组的一个或多个原子或基团等；n代表0、1或2。该化合物具有优异的控制害虫活性。

  公开号：

  WO2012086848A1

文献信息

• Fused heterocyclic compound and use thereof for pest control
  申请人：Takyo Hayato

  公开号：US08853238B2

  公开（公告）日：2014-10-07

  A fused heterocyclic compound the formula (1): wherein A1 represents —NR8—, and the like; A2 represents a nitrogen atom, and the like; A3 represents a nitrogen atom, and the like; R1 represents a C1-C6 chain hydrocarbon group optionally having one or more atoms or groups selected from Group X, and the like; R2, R3, R4, and R5 are same or different and represent independently a C1-C6 chain hydrocarbon group optionally having one or more halogen atoms, and the like; R6 and R7 are same or different and represent independently a C1-C6 chain hydrocarbon group optionally having one or more atoms or groups selected from Group X, and the like; R8 represents a C1-C6 chain hydrocarbon group optionally having one or more atoms or groups selected from Group W, and the like; n represents 0, 1 or 2. The compound has an excellent activity of controlling pests.

  一种融合的杂环化合物，化学式（1）：其中A1代表—NR8—等；A2代表氮原子等；A3代表氮原子等；R1代表C1-C6链烃基，可选含有一种或多种来自X族的原子或基团等；R2、R3、R4和R5相同或不同，分别独立地代表C1-C6链烃基，可选含有一种或多种卤素原子等；R6和R7相同或不同，分别独立地代表C1-C6链烃基，可选含有一种或多种来自X族的原子或基团等；R8代表C1-C6链烃基，可选含有一种或多种来自W族的原子或基团等；n代表0、1或2。该化合物具有优异的控制害虫活性。
• FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF
  申请人：Takyo Hayato

  公开号：US20140018373A1

  公开（公告）日：2014-01-16

  A fused heterocyclic compound the formula (1): wherein A 1 represents —NR 8 —, and the like; A 2 represents a nitrogen atom, and the like; A 3 represents a nitrogen atom, and the like; R 1 represents a C1-C6 chain hydrocarbon group optionally having one or more atoms or groups selected from Group X, and the like; R 2 , R 3 , R 4 , and R 5 are same or different and represent independently a C1-C6 chain hydrocarbon group optionally having one or more halogen atoms, and the like; R 6 and R 7 are same or different and represent independently a C1-C6 chain hydrocarbon group optionally having one or more atoms or groups selected from Group X, and the like; R 8 represents a C1-C6 chain hydrocarbon group optionally having one or more atoms or groups selected from Group W, and the like; n represents 0, 1 or 2. The compound has an excellent activity of controlling pests.

  一种融合的杂环化合物，化学式（1）：其中A1代表—NR8—等；A2代表氮原子等；A3代表氮原子等；R1代表C1-C6链烃基，可选含有一种或多种来自X组的原子或基团等；R2、R3、R4和R5相同或不同，分别独立地代表可选含有一种或多种卤素原子等的C1-C6链烃基；R6和R7相同或不同，分别独立地代表可选含有一种或多种来自X组的原子或基团等的C1-C6链烃基；R8代表可选含有一种或多种来自W组的原子或基团等的C1-C6链烃基；n代表0、1或2。该化合物具有优异的杀虫活性。
• FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20140364444A1

  公开（公告）日：2014-12-11

  A fused heterocyclic compound the formula (1): wherein A 1 represents —NR 8 —, and the like; A 2 represents a nitrogen atom, and the like; A 3 represents a nitrogen atom, and the like; R 1 represents a C1-C6 chain hydrocarbon group optionally having one or more atoms or groups selected from Group X, and the like; R 2 , R 3 , R 4 , and R 5 are same or different and represent independently a C1-C6 chain hydrocarbon group optionally having one or more halogen atoms, and the like; R 6 and R 7 are same or different and represent independently a C1-C6 chain hydrocarbon group optionally having one or more atoms or groups selected from Group X, and the like; R 8 represents a C1-C6 chain hydrocarbon group optionally having one or more atoms or groups selected from Group W, and the like; n represents 0, 1 or 2. The compound has an excellent activity of controlling pests.

  一种融合的杂环化合物，化学式（1）：其中A1代表- NR8-等；A2代表氮原子等；A3代表氮原子等；R1代表C1-C6链烃基，可选地具有来自X族的一个或多个原子或基团等；R2，R3，R4和R5相同或不同，分别独立地代表C1-C6链烃基，可选地具有一个或多个卤素原子等；R6和R7相同或不同，分别独立地代表C1-C6链烃基，可选地具有来自X族的一个或多个原子或基团等；R8代表C1-C6链烃基，可选地具有来自W族的一个或多个原子或基团等；n代表0、1或2。该化合物具有优异的控制害虫活性。
• US8853238B2
  申请人：——

  公开号：US8853238B2

  公开（公告）日：2014-10-07
• US9278983B2
  申请人：——

  公开号：US9278983B2

  公开（公告）日：2016-03-08