Tert-butyl 4-[4-[3-[2-[2-[3-[[4-[3-[2-[2-[3-[[4,6-bis[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]propoxy]ethoxy]ethoxy]propylamino]-6-chloro-1,3,5-triazin-2-yl]amino]propoxy]ethoxy]ethoxy]propylamino]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazine-1-carboxylate | 1217446-33-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: Tert-butyl 4-[4-[3-[2-[2-[3-[[4-[3-[2-[2-[3-[[4,6-bis[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]propoxy]ethoxy]ethoxy]propylamino]-6-chloro-1,3,5-triazin-2-yl]amino]propoxy]ethoxy]ethoxy]propylamino]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazine-1-carboxylate
• 英文别名: tert-butyl 4-[4-[3-[2-[2-[3-[[4-[3-[2-[2-[3-[[4,6-bis[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]propoxy]ethoxy]ethoxy]propylamino]-6-chloro-1,3,5-triazin-2-yl]amino]propoxy]ethoxy]ethoxy]propylamino]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazine-1-carboxylate
• CAS: 1217446-33-7
• 化学式: C₆₅H₁₁₂ClN₂₁O₁₄
• 分子量: 1447.19
• InChiKey: CGAPQEYMJASAOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  101
• 可旋转键数：
  44
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  351
• 氢给体数：
  4
• 氢受体数：
  31

反应信息

• 作为反应物：
  描述：

  、 Tert-butyl 4-[4-[3-[2-[2-[3-[[4-[3-[2-[2-[3-[[4,6-bis[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]propoxy]ethoxy]ethoxy]propylamino]-6-chloro-1,3,5-triazin-2-yl]amino]propoxy]ethoxy]ethoxy]propylamino]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazine-1-carboxylate 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以81%的产率得到
  参考文献：
  名称：

  Synthesis of Odd Generation Triazine Dendrimers Using a Divergent, Macromonomer Approach

  摘要：

  Using a macromonomer, first, third, and fifth generation triazine dendrimers can be prepared using a divergent approach. The nine-step process to the fifth generation target relies on an iterative two-reactions-per-generation strategy to yield the desired material in similar to 48% overall yield. This target displays 96 surface groups. NMR spectroscopy and mass spectrometry show that exceptionally narrow polydispersity is achieved using this strategy.

  DOI：

  10.1021/ol902669g
• 作为产物：
  描述：

  三聚氯氰 、 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以81%的产率得到Tert-butyl 4-[4-[3-[2-[2-[3-[[4-[3-[2-[2-[3-[[4,6-bis[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]propoxy]ethoxy]ethoxy]propylamino]-6-chloro-1,3,5-triazin-2-yl]amino]propoxy]ethoxy]ethoxy]propylamino]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3,5-triazin-2-yl]piperazine-1-carboxylate
  参考文献：
  名称：

  Influence of linker groups on the solubility of triazine dendrimers

  摘要：

  选择连接二胺对三嗪树状分子的溶解度有深远的影响。

  DOI：

  10.1039/c4nj00917g

文献信息

• Influence of linker groups on the solubility of triazine dendrimers
  作者：Alan E. Enciso、Matteo Garzoni、Giovanni M. Pavan、Eric E. Simanek

  DOI：10.1039/c4nj00917g

  日期：——

  The choice of linking diamine has profound influence on the solubility of triazine dendrimers.

  选择连接二胺对三嗪树状分子的溶解度有深远的影响。
• Synthesis of Odd Generation Triazine Dendrimers Using a Divergent, Macromonomer Approach
  作者：Jongdoo Lim、Meredith A. Mintzer、Lisa M. Perez、Eric E. Simanek

  DOI：10.1021/ol902669g

  日期：2010.3.19

  Using a macromonomer, first, third, and fifth generation triazine dendrimers can be prepared using a divergent approach. The nine-step process to the fifth generation target relies on an iterative two-reactions-per-generation strategy to yield the desired material in similar to 48% overall yield. This target displays 96 surface groups. NMR spectroscopy and mass spectrometry show that exceptionally narrow polydispersity is achieved using this strategy.