tert-butyl N-[3-[2-[2-[3-[[4-[3-[2-[2-[3-[[4-[3-[2-[2-[3-[[4,6-bis[3-[2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]ethoxy]ethoxy]propylamino]-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-[3-[2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]ethoxy]ethoxy]propylamino]-1,3,5-triazin-2-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate | 1426654-45-6

• 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: tert-butyl N-[3-[2-[2-[3-[[4-[3-[2-[2-[3-[[4-[3-[2-[2-[3-[[4,6-bis[3-[2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]ethoxy]ethoxy]propylamino]-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-[3-[2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]ethoxy]ethoxy]propylamino]-1,3,5-triazin-2-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate
• CAS: 1426654-45-6
• 化学式: C₈₉H₁₆₈ClN₂₁O₂₆
• 分子量: 1983.89
• InChiKey: HCKQTMAZYFHQMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  137
• 可旋转键数：
  100
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  532
• 氢给体数：
  12
• 氢受体数：
  43

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[3-[2-[2-[3-[[4-[3-[2-[2-[3-[[4-[3-[2-[2-[3-[[4,6-bis[3-[2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]ethoxy]ethoxy]propylamino]-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-[3-[2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]ethoxy]ethoxy]propylamino]-1,3,5-triazin-2-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate 、 炔丙胺 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 16.0h， 以90%的产率得到
  参考文献：
  名称：

  Synthesis of Large Dendrimers with the Dimensions of Small Viruses

  摘要：

  The dendrimer chemistry reported offers a route to synthetic target molecules with spherical shape, well-defined surface chemistries, and dimensions that match the size of virus particles. The largest target, a generation-13 dendrimer comprising triazines linked by diamines, is stable across ranges of concentration, pH, temperature, solvent polarity and in the presence of additives. This dendrimer theoretically presents 16 384 surface groups and has a molecular weight exceeding 8.4 MDa. Transmission electron and atomic force microscopies, dynamic light scattering, and computations reveal a diameter of similar to 30 nm. The target was synthesized through an iterative divergent approach using a monochlorotriazine macromonomer providing two generations of growth per synthetic cycle. Fidelity in the synthesis is supported by evidence from NMR spectroscopy, mass spectrometry, and high-pressure liquid chromatography.

  DOI：

  10.1021/ja400432e
• 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 、 甲醇 为溶剂， 反应 17.0h， 以95%的产率得到tert-butyl N-[3-[2-[2-[3-[[4-[3-[2-[2-[3-[[4-[3-[2-[2-[3-[[4,6-bis[3-[2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]ethoxy]ethoxy]propylamino]-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-[3-[2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]ethoxy]ethoxy]propylamino]-1,3,5-triazin-2-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate
  参考文献：
  名称：

  Synthesis of Large Dendrimers with the Dimensions of Small Viruses

  摘要：

  The dendrimer chemistry reported offers a route to synthetic target molecules with spherical shape, well-defined surface chemistries, and dimensions that match the size of virus particles. The largest target, a generation-13 dendrimer comprising triazines linked by diamines, is stable across ranges of concentration, pH, temperature, solvent polarity and in the presence of additives. This dendrimer theoretically presents 16 384 surface groups and has a molecular weight exceeding 8.4 MDa. Transmission electron and atomic force microscopies, dynamic light scattering, and computations reveal a diameter of similar to 30 nm. The target was synthesized through an iterative divergent approach using a monochlorotriazine macromonomer providing two generations of growth per synthetic cycle. Fidelity in the synthesis is supported by evidence from NMR spectroscopy, mass spectrometry, and high-pressure liquid chromatography.

  DOI：

  10.1021/ja400432e

文献信息

• Synthesis of Large Dendrimers with the Dimensions of Small Viruses
  作者：Jongdoo Lim、Mauri Kostiainen、Jan Maly、Viviana C. P. da Costa、Onofrio Annunziata、Giovanni M. Pavan、Eric E. Simanek

  DOI：10.1021/ja400432e

  日期：2013.3.27

  The dendrimer chemistry reported offers a route to synthetic target molecules with spherical shape, well-defined surface chemistries, and dimensions that match the size of virus particles. The largest target, a generation-13 dendrimer comprising triazines linked by diamines, is stable across ranges of concentration, pH, temperature, solvent polarity and in the presence of additives. This dendrimer theoretically presents 16 384 surface groups and has a molecular weight exceeding 8.4 MDa. Transmission electron and atomic force microscopies, dynamic light scattering, and computations reveal a diameter of similar to 30 nm. The target was synthesized through an iterative divergent approach using a monochlorotriazine macromonomer providing two generations of growth per synthetic cycle. Fidelity in the synthesis is supported by evidence from NMR spectroscopy, mass spectrometry, and high-pressure liquid chromatography.