1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-pyridin-1-ium-1-yl-3,3-bis(trifluoromethyl)aziridin-2-olate | 172325-74-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-pyridin-1-ium-1-yl-3,3-bis(trifluoromethyl)aziridin-2-olate
• CAS: 172325-74-5
• 化学式: C₁₃H₅F₁₅N₂O
• 分子量: 490.172
• InChiKey: PLPMQSRGSJEEQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.55
• 重原子数：
  31.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  29.95
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-pyridin-1-ium-1-yl-3,3-bis(trifluoromethyl)aziridin-2-olate 在 三氟化硼乙醚 作用下， 反应 3.0h， 以0.2 g的产率得到1-(perfluoro-tert-butyl)-3,3-bis(trifluoromethyl)aziridin-2-one
  参考文献：
  名称：

  Interaction of 1-tert-perfluorobutyl-3,3-di(perfluoromethyl)-2-aziridinone with weak nucleophiles

  摘要：

  The title perfluoro-alpha-lactam (1) was found to react with N,N-dimethylformamide to give initially a betaine (2) which undergoes ring enlargement to produce the isomeric 2-dimethylamino-3,4,4-tri(perfluoroalkyl)substituted 5-oxazolidone (3). Related betaines were also obtained on reaction of 1 with pyridine, quinoline, benzalaniline, and p-dimethylaminobenzaldehyde.

  DOI：

  10.1007/bf00697089
• 作为产物：
  描述：

  1-(perfluoro-tert-butyl)-3,3-bis(trifluoromethyl)aziridin-2-one 在 吡啶 、 三氟化硼乙醚 作用下， 以 乙醚 为溶剂， 反应 183.25h， 生成 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-pyridin-1-ium-1-yl-3,3-bis(trifluoromethyl)aziridin-2-olate
  参考文献：
  名称：

  Interaction of 1-tert-perfluorobutyl-3,3-di(perfluoromethyl)-2-aziridinone with weak nucleophiles

  摘要：

  The title perfluoro-alpha-lactam (1) was found to react with N,N-dimethylformamide to give initially a betaine (2) which undergoes ring enlargement to produce the isomeric 2-dimethylamino-3,4,4-tri(perfluoroalkyl)substituted 5-oxazolidone (3). Related betaines were also obtained on reaction of 1 with pyridine, quinoline, benzalaniline, and p-dimethylaminobenzaldehyde.

  DOI：

  10.1007/bf00697089