trifluoro-N'-(2-phenyl-2H-1,2,3-triazol-4-yl-carbonyl)methanesulfonic hydrazide | 849021-50-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: trifluoro-N'-(2-phenyl-2H-1,2,3-triazol-4-yl-carbonyl)methanesulfonic hydrazide
• 英文别名: trifluoro-N'-(2-phenyl-2h-1,2,3-triazol-4-ylcarbonyl)methane-sulfonic hydrazide；2-phenyl-N'-(trifluoromethylsulfonyl)triazole-4-carbohydrazide
• CAS: 849021-50-7
• 化学式: C₁₀H₈F₃N₅O₃S
• 分子量: 335.266
• InChiKey: NCRQXBQSTHFAHG-UHFFFAOYSA-N

物化性质

• 密度：
  1.69±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  trifluoro-N'-(2-phenyl-2H-1,2,3-triazol-4-yl-carbonyl)methanesulfonic hydrazide 生成 2-苯基-1,2,3-三唑-4-甲醛
  参考文献：
  名称：

  Trifluoromethanesulfonic Hydrazides

  摘要：

  We succeeded to observe at low temperature in reactions of trifluoromethanesulfonic anhydride and trifluoromethanesulfonyl chloride with hydrazine, phenyl hydrazine, and 1,1-dimethylhydrazine a formation of the corresponding trifluoromethanesulfonic hydrazides that at heating to room temperature decomposed liberating nitrogen and affording trifluoromethanesulfinic acid. 2-Phenyl-2H-1,2,3-triazole-4-carboxylic hydrazide reacted with trifluoromethanesulfonic anhydride to furnish trifluoro-N'-(2-phenyl-2H-1,2,3-triazol-4-ylcarbonyl)methanesulfonic hydrazide that decomposed at heating with elimination of trifluoromethanesulfinic acid and nitrogen yielding 2-phenyl-2H- 1,2,3-triazole-4-carbaldehyde.

  DOI：

  10.1023/b:rujo.0000045884.87574.ec
• 作为产物：
  描述：

  methyl 2-phenyl-2H-1,2,3-triazole-4-carboxylate 在 一水合肼 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 trifluoro-N'-(2-phenyl-2H-1,2,3-triazol-4-yl-carbonyl)methanesulfonic hydrazide
  参考文献：
  名称：

  Trifluoromethanesulfonic Hydrazides

  摘要：

  We succeeded to observe at low temperature in reactions of trifluoromethanesulfonic anhydride and trifluoromethanesulfonyl chloride with hydrazine, phenyl hydrazine, and 1,1-dimethylhydrazine a formation of the corresponding trifluoromethanesulfonic hydrazides that at heating to room temperature decomposed liberating nitrogen and affording trifluoromethanesulfinic acid. 2-Phenyl-2H-1,2,3-triazole-4-carboxylic hydrazide reacted with trifluoromethanesulfonic anhydride to furnish trifluoro-N'-(2-phenyl-2H-1,2,3-triazol-4-ylcarbonyl)methanesulfonic hydrazide that decomposed at heating with elimination of trifluoromethanesulfinic acid and nitrogen yielding 2-phenyl-2H- 1,2,3-triazole-4-carbaldehyde.

  DOI：

  10.1023/b:rujo.0000045884.87574.ec