N-[[4-[[4-[[4-[[4-[4-[[[2,6-bis[4-[[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]methyl]anilino]-1H-1,3,5-triazin-4-ylidene]amino]methyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]methylimino]-6-[4-[[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]methyl]anilino]-1H-1,3,5-triazin-2-yl]amino]phenyl]methyl]-1-[(2-methylpropan-2-yl)oxy]methanimidic acid | 263551-63-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: N-[[4-[[4-[[4-[[4-[4-[[[2,6-bis[4-[[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]methyl]anilino]-1H-1,3,5-triazin-4-ylidene]amino]methyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]methylimino]-6-[4-[[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]methyl]anilino]-1H-1,3,5-triazin-2-yl]amino]phenyl]methyl]-1-[(2-methylpropan-2-yl)oxy]methanimidic acid
• CAS: 263551-63-9
• 化学式: C₇₁H₈₄ClN₂₁O₈
• 分子量: 1395.04
• InChiKey: GJVWOJUYPDSQBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.7
• 重原子数：
  101
• 可旋转键数：
  32
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  376
• 氢给体数：
  12
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  4-氨基苄胺 、 N-[[4-[[4-[[4-[[4-[4-[[[2,6-bis[4-[[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]methyl]anilino]-1H-1,3,5-triazin-4-ylidene]amino]methyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]methylimino]-6-[4-[[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]methyl]anilino]-1H-1,3,5-triazin-2-yl]amino]phenyl]methyl]-1-[(2-methylpropan-2-yl)oxy]methanimidic acid 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 42.0h， 以95.1%的产率得到N-[[4-[[4-[[4-[[4-[(4-aminophenyl)methylimino]-6-[4-[[[2,6-bis[4-[[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]methyl]anilino]-1H-1,3,5-triazin-4-ylidene]amino]methyl]anilino]-1H-1,3,5-triazin-2-yl]amino]phenyl]methylimino]-6-[4-[[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]methyl]anilino]-1H-1,3,5-triazin-2-yl]amino]phenyl]methyl]-1-[(2-methylpropan-2-yl)oxy]methanimidic acid
  参考文献：
  名称：

  Dendrimers Based on Melamine. Divergent and Orthogonal, Convergent Syntheses of a G3 Dendrimer

  摘要：

  Both convergent and divergent strategies are used to synthesize 1, a dendrimer comprising triazines linked by diamines, The convergent approach is orthogonal; neither protecting groups nor functional group manipulations are required using the building blocks selected.

  DOI：

  10.1021/ol005585g
• 作为产物：
  描述：

  三聚氯氰 、 tert-butyl N-[[4-[[4-[(4-aminophenyl)methylamino]-6-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]anilino]-1,3,5-triazin-2-yl]amino]phenyl]methyl]carbamate 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 以96%的产率得到N-[[4-[[4-[[4-[[4-[4-[[[2,6-bis[4-[[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]methyl]anilino]-1H-1,3,5-triazin-4-ylidene]amino]methyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]methylimino]-6-[4-[[[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]methyl]anilino]-1H-1,3,5-triazin-2-yl]amino]phenyl]methyl]-1-[(2-methylpropan-2-yl)oxy]methanimidic acid
  参考文献：
  名称：

  Synthesis and characterization of higher generation dendrons based on melamine using p-aminobenzylamine. Evidence for molecular recognition of Cu(II)

  摘要：

  The difference in nucleophilicity between the amines of p-aminobenzylamine can be used to synthesize dendrimers based on melamine using a convergent, orthogonal approach. The resulting molecules comprise groups that donate and accept hydrogen-bonds, limiting synthetic accessibility due to intermolecular aggregation. Dendrons with molecular weights exceeding 10 kDa can be prepared by this strategy, but yields drop off significantly at the highest generation (D5) due to difficulties in purification. The addition of Cu(II) reduces the extent of aggregation as evident in SEC traces. UV-vis spectroscopy confirms recognition. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01007-3