4-{2,4,5,6-tetrafluoro-3-[(pentafluorophenyl)diazenyl]phenyl}morpholine | 1569033-04-0

• 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: 4-{2,4,5,6-tetrafluoro-3-[(pentafluorophenyl)diazenyl]phenyl}morpholine
• 英文别名: 4-{2,4,5,6-Tetrafluoro-3-[(pentafluorophenyl)di-azenyl]phenyl}morpholine；(2,3,4,5,6-pentafluorophenyl)-(2,3,4,6-tetrafluoro-5-morpholin-4-ylphenyl)diazene
• CAS: 1569033-04-0
• 化学式: C₁₆H₈F₉N₃O
• 分子量: 429.245
• InChiKey: DVTAJPFGXOVAKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  37.2
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  五氨基氟丙基氢氧吡啶 以 乙醚 为溶剂， 反应 20.5h， 生成 4-{2,4,5,6-tetrafluoro-3-[(pentafluorophenyl)diazenyl]phenyl}morpholine
  参考文献：
  名称：

  Formation of polyfluorinated azobenzenes and azophenols in the reactions of chloropentafluoro-cyclohexa-2,5- and -2,4-dienones with phenyl- and pentafluorophenylhydrazines

  摘要：

  4-Chloropentafluorocyclohexa-2,5-dienone reacted with phenyl- and pentafluorophenylhydrazines in the presence of AlCl3 via addition to the carbonyl group with formation of the corresponding azobenzenes. The reaction of 6-chloropentafluorocyclohexa-2,4-dienone with phenyl- and pentafluorophenylhydrazines both in the presence and in the absence of AlCl3 afforded mainly 3-arylazotetrafluorophenols as products of nucleophilic replacement of fluorine atom at the double C=C bond.

  DOI：

  10.1134/s1070428014010060