2-(2,6-dichloro-4-trifluoro-methylphenyl)-4-[(difluoromethylthio)methyl]2H-1,2,3-triazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(2,6-dichloro-4-trifluoro-methylphenyl)-4-[(difluoromethylthio)methyl]2H-1,2,3-triazole
• 英文别名: 2-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-(difluoromethylsulfanylmethyl)triazole
• 化学式: C₁₁H₆Cl₂F₅N₃S
• 分子量: 378.153
• InChiKey: BACFKJVOSIKJBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  56
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-(2,6-Dichloro-4-trifluoromethylphenyl)-2H-1,2,3-triazole-4-carbaldehyde 在 sodium tetrahydroborate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 异丙醇 、 乙腈 为溶剂， 反应 72.67h， 生成 2-(2,6-dichloro-4-trifluoro-methylphenyl)-4-[(difluoromethylthio)methyl]2H-1,2,3-triazole
  参考文献：
  名称：

  The Synthesis and Insecticidal Activity of a Series of 2‐Aryl‐1,2,3‐triazoles

  摘要：

  Two synthetic routes to 2-aryl-1,2,3-triazoles are outlined. These have been used to synthesise a wide range of compounds of this structural type. Their insecticidal activities were evaluated against a number of veterinary and public health pests. The activity of these compounds is especially good against the housefly (Musca domestica). Structure-activity relationships are discussed particularly in relation to the physical properties of the compounds.

  DOI：

  10.1002/(sici)1096-9063(199610)48:2<189::aid-ps461>3.0.co;2-#

文献信息

• US5064844A
  申请人：——

  公开号：US5064844A

  公开（公告）日：1991-11-12
• The Synthesis and Insecticidal Activity of a Series of 2‐Aryl‐1,2,3‐triazoles
  作者：Ian K. Boddy、Geoff G. Briggs、Richard P. Harrison、Tim H. Jones、Mary J. O'Mahony、Ian D. Marlow、Brian G. Roberts、R. John Willis、Richard Bardsley、Jim Reid

  DOI：10.1002/(sici)1096-9063(199610)48:2<189::aid-ps461>3.0.co;2-#

  日期：1996.10

  Two synthetic routes to 2-aryl-1,2,3-triazoles are outlined. These have been used to synthesise a wide range of compounds of this structural type. Their insecticidal activities were evaluated against a number of veterinary and public health pests. The activity of these compounds is especially good against the housefly (Musca domestica). Structure-activity relationships are discussed particularly in relation to the physical properties of the compounds.