1-(1,1,2,2-tetrafluoroethyl)-1,2,4-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: 1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole
• 化学式: C₄H₃F₄N₃
• 分子量: 169.082
• InChiKey: IRROVKXBXHWNOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1H-1,2,4-三唑 、 四氟乙烯 在 氢化钾 作用下， 以 1,4-二氧六环 为溶剂， 反应 8.0h， 以15%的产率得到1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole
  参考文献：
  名称：

  N-Polyfluoroethyl and N-2-chlorodifluorovinyl derivatives of azoles

  摘要：

  Reactions of tetrafluoroethylene, chlorotrifluoroethylene and 1,2-dichlorodifluoroethylene with N-potassium salts of imidazole, 2-methylbenzimidazole, 3,5-dimethylpyrazole, 1,2,4-triazole, and benzotriazole lead to the formation of the corresponding N-(1,1,2,2-tetrafluoroethyl), N-(2-chloro-1,1,2-trifluoroethyl), and N-(2-chloro-1,2-difluorovinyl) azoles. Treatment of N-(2-chloro-1,2-difluorovinyl) and N-(2-chloro-1,1,2-trifluoroethyl) derivatives of azoles with tetramethylammonium fluoride is a useful synthetic method for the preparation of heterocycles with 1,2,2,2-tetrafluoroethyl group attached to nitrogen. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2004.05.003

文献信息

• N-Polyfluoroethyl and N-2-chlorodifluorovinyl derivatives of azoles
  作者：Vitalij V. Rudyuk、Dmitrij V. Fedyuk、Lev M. Yagupolskii

  DOI：10.1016/j.jfluchem.2004.05.003

  日期：2004.10

  Reactions of tetrafluoroethylene, chlorotrifluoroethylene and 1,2-dichlorodifluoroethylene with N-potassium salts of imidazole, 2-methylbenzimidazole, 3,5-dimethylpyrazole, 1,2,4-triazole, and benzotriazole lead to the formation of the corresponding N-(1,1,2,2-tetrafluoroethyl), N-(2-chloro-1,1,2-trifluoroethyl), and N-(2-chloro-1,2-difluorovinyl) azoles. Treatment of N-(2-chloro-1,2-difluorovinyl) and N-(2-chloro-1,1,2-trifluoroethyl) derivatives of azoles with tetramethylammonium fluoride is a useful synthetic method for the preparation of heterocycles with 1,2,2,2-tetrafluoroethyl group attached to nitrogen. (C) 2004 Elsevier B.V. All rights reserved.