Bis(N²-hydroxyhexafluoroisopropyl-N¹-morpholino)terephthalamidine | 130305-71-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: Bis(N²-hydroxyhexafluoroisopropyl-N¹-morpholino)terephthalamidine
• 英文别名: 1,1,1,3,3,3-hexafluoro-2-[[[4-[N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-C-morpholin-4-ylcarbonimidoyl]phenyl]-morpholin-4-ylmethylidene]amino]propan-2-ol
• CAS: 130305-71-4
• 化学式: C₂₂H₂₂F₁₂N₄O₄
• 分子量: 634.422
• InChiKey: PMDZHEMNFUWMSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  90.1
• 氢给体数：
  2
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  全氟庚腈 、 Bis(N²-hydroxyhexafluoroisopropyl-N¹-morpholino)terephthalamidine 以 氯仿 为溶剂， 反应 8.0h， 以96%的产率得到1,4-Bis(2,4-perfluorohexyltriazinyl)benzene
  参考文献：
  名称：

  Bis-(N2-hydroxyhexafluoroisopropyl-N1,N1-substituted)terephthalamidines and their reaction with perfluorohexanecarbonitrile

  摘要：

  Bis(N2-hydroxyhexafluoroisopropyl-N1, N1-substituted) terephthalamidines, which are stable up to their melting points, were obtained by reacting substituted tetraphthalamidines with hexafluoroacetone. The reaction of bis(N2-hydroxyhexafluoroisopropyl-N1, N1-substituted)terephthalamidines with perfluorohexanecarbonitrile results in the formation of 1,4-bis(2,4-perfluorohexyltriazinyl)benzene.

  DOI：

  10.1007/bf00957860
• 作为产物：
  描述：

  C-{[4-(Imino-morpholin-4-yl-methyl)-phenyl]-morpholin-4-yl}-methyleneamine 、 六氟丙酮 以 乙醚 为溶剂， 反应 3.0h， 以75%的产率得到Bis(N²-hydroxyhexafluoroisopropyl-N¹-morpholino)terephthalamidine
  参考文献：
  名称：

  Bis-(N2-hydroxyhexafluoroisopropyl-N1,N1-substituted)terephthalamidines and their reaction with perfluorohexanecarbonitrile

  摘要：

  Bis(N2-hydroxyhexafluoroisopropyl-N1, N1-substituted) terephthalamidines, which are stable up to their melting points, were obtained by reacting substituted tetraphthalamidines with hexafluoroacetone. The reaction of bis(N2-hydroxyhexafluoroisopropyl-N1, N1-substituted)terephthalamidines with perfluorohexanecarbonitrile results in the formation of 1,4-bis(2,4-perfluorohexyltriazinyl)benzene.

  DOI：

  10.1007/bf00957860