N,N,N'-tris(4-methoxyphenyl)-1,4-benzenediamine | 55049-02-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N,N'-tris(4-methoxyphenyl)-1,4-benzenediamine
• 英文别名: 1-N,4-N,4-N-tris(4-methoxyphenyl)benzene-1,4-diamine
• CAS: 55049-02-0
• 化学式: C₂₇H₂₆N₂O₃
• 分子量: 426.515
• InChiKey: AUUPCARFKACPJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  43
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  三聚氯氰 、 N,N,N'-tris(4-methoxyphenyl)-1,4-benzenediamine 反应 24.0h， 以45%的产率得到2,4,6-tris[N-[4-bis(4-methoxyphenyl)amino]phenyl-N-(4-methoxyphenyl)-amino]-1,3,5-triazine
  参考文献：
  名称：

  Triamino-s-triazine Triradical Trications. An Experimental Study of Triazine as a Magnetic Coupling Unit

  摘要：

  Triamino-s-triazine derivatives 3a, 4, and 5 have been prepared, and their cationic states have been analyzed electrochemically. At 298 K, 3a(+) has a limited lifetime in CH2CI2 solution, However, 4(+) and 5(+) are long lived under such conditions, and quartet states of 4(3+) and 5(3+) are observed by ESR spectroscopy, Variable temperature ESR analysis and NMR shift susceptibility measurements indicate that 5(3+) is a doublet ground state with a populated quartet state.

  DOI：

  10.1021/ol9912736
• 作为产物：
  描述：

  N-[4-[bis(4-methoxyphenyl)amino]-phenyl]-N-(4-methoxyphenyl)-acetamide 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以93%的产率得到N,N,N'-tris(4-methoxyphenyl)-1,4-benzenediamine
  参考文献：
  名称：

  Triamino-s-triazine Triradical Trications. An Experimental Study of Triazine as a Magnetic Coupling Unit

  摘要：

  Triamino-s-triazine derivatives 3a, 4, and 5 have been prepared, and their cationic states have been analyzed electrochemically. At 298 K, 3a(+) has a limited lifetime in CH2CI2 solution, However, 4(+) and 5(+) are long lived under such conditions, and quartet states of 4(3+) and 5(3+) are observed by ESR spectroscopy, Variable temperature ESR analysis and NMR shift susceptibility measurements indicate that 5(3+) is a doublet ground state with a populated quartet state.

  DOI：

  10.1021/ol9912736