tert-butyl N-[3-[[4-[(3R)-3-[[4-[[(3R)-1-[4,6-bis[bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-yl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]pyrrolidin-1-yl]-6-[bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propyl]carbamate | 1020102-26-4

• 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-[[4-[(3R)-3-[[4-[[(3R)-1-[4,6-bis[bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-yl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]pyrrolidin-1-yl]-6-[bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propyl]carbamate
• CAS: 1020102-26-4
• 化学式: C₈₁H₁₄₄ClN₂₅O₁₆
• 分子量: 1759.65
• InChiKey: LSJUDDRYKVHGDV-JBFSERFOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.7
• 重原子数：
  123
• 可旋转键数：
  58
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  466
• 氢给体数：
  10
• 氢受体数：
  33

反应信息

• 作为反应物：
  描述：

  4-氨基哌啶 、 tert-butyl N-[3-[[4-[(3R)-3-[[4-[[(3R)-1-[4,6-bis[bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-yl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]pyrrolidin-1-yl]-6-[bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propyl]carbamate 以 四氢呋喃 为溶剂， 以89.3%的产率得到
  参考文献：
  名称：

  Identification of diamine linkers with differing reactivity and their application in the synthesis of melamine dendrimers

  摘要：

  Diamine linkers for the synthesis of dendrimers based on melamine were identified using competition reactions. The relative reactivity of the surveyed cyclic monoamines varies by 40 times, expanding the previously identified series to an overall relative reactivity range of 320 times. Azetidine is 40 times more reactive than the cyclic, nine-membered ring (C8H17N), and 320 times more reactive than benzylamine. Reactivity differences are attributed to pK(a), values and sterics. Diamines incorporating these groups are useful linkers that can be employed in dendrimer synthesis. Specifically, the nucleophilicity of the individual amine groups comprising 3-aminoazetidine, 3-aminopyrrolidine, and 4-aminopiperidine varies by 100 times, 70 times, and 20 times, respectively. These linkers are incorporated into a generation three dendrimer. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.12.056
• 作为产物：
  描述：

  三聚氯氰 、 tetra-tert-butyl (((6-(3-aminopyrrolidin-1-yl)-1,3,5-triazine-2,4-diyl)bis(azanetriyl))tetrakis(propane-3,1-diyl))(R)-tetracarbamate 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 以88.8%的产率得到tert-butyl N-[3-[[4-[(3R)-3-[[4-[[(3R)-1-[4,6-bis[bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-yl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]pyrrolidin-1-yl]-6-[bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-1,3,5-triazin-2-yl]-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propyl]carbamate
  参考文献：
  名称：

  Identification of diamine linkers with differing reactivity and their application in the synthesis of melamine dendrimers

  摘要：

  Diamine linkers for the synthesis of dendrimers based on melamine were identified using competition reactions. The relative reactivity of the surveyed cyclic monoamines varies by 40 times, expanding the previously identified series to an overall relative reactivity range of 320 times. Azetidine is 40 times more reactive than the cyclic, nine-membered ring (C8H17N), and 320 times more reactive than benzylamine. Reactivity differences are attributed to pK(a), values and sterics. Diamines incorporating these groups are useful linkers that can be employed in dendrimer synthesis. Specifically, the nucleophilicity of the individual amine groups comprising 3-aminoazetidine, 3-aminopyrrolidine, and 4-aminopiperidine varies by 100 times, 70 times, and 20 times, respectively. These linkers are incorporated into a generation three dendrimer. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.12.056

文献信息

• Identification of diamine linkers with differing reactivity and their application in the synthesis of melamine dendrimers
  作者：Karlos X. Moreno、Eric E. Simanek

  DOI：10.1016/j.tetlet.2007.12.056

  日期：2008.2

  Diamine linkers for the synthesis of dendrimers based on melamine were identified using competition reactions. The relative reactivity of the surveyed cyclic monoamines varies by 40 times, expanding the previously identified series to an overall relative reactivity range of 320 times. Azetidine is 40 times more reactive than the cyclic, nine-membered ring (C8H17N), and 320 times more reactive than benzylamine. Reactivity differences are attributed to pK(a), values and sterics. Diamines incorporating these groups are useful linkers that can be employed in dendrimer synthesis. Specifically, the nucleophilicity of the individual amine groups comprising 3-aminoazetidine, 3-aminopyrrolidine, and 4-aminopiperidine varies by 100 times, 70 times, and 20 times, respectively. These linkers are incorporated into a generation three dendrimer. (C) 2008 Elsevier Ltd. All rights reserved.