tetra-tert-butyl 4,4',4'',4'''-(((((6-(prop-2-yn-1-ylamino)-1,3,5-triazine-2,4-diyl)bis(piperidine-1,4-diyl))bis(propane-3,1-diyl))bis(piperidine-4,1-diyl))bis(1,3,5-triazine-6,2,4-triyl))tetrakis(piperazine-1-carboxylate) | 1447918-98-0

• 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: tetra-tert-butyl 4,4',4'',4'''-(((((6-(prop-2-yn-1-ylamino)-1,3,5-triazine-2,4-diyl)bis(piperidine-1,4-diyl))bis(propane-3,1-diyl))bis(piperidine-4,1-diyl))bis(1,3,5-triazine-6,2,4-triyl))tetrakis(piperazine-1-carboxylate)
• CAS: 1447918-98-0
• 化学式: C₇₄H₁₂₀N₂₂O₈
• 分子量: 1445.91
• InChiKey: ONHYGPRHBOLRBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.12
• 重原子数：
  104.0
• 可旋转键数：
  18.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  272.12
• 氢给体数：
  1.0
• 氢受体数：
  26.0

反应信息

• 作为反应物：
  描述：

  tetra-tert-butyl 4,4',4'',4'''-(((((6-(prop-2-yn-1-ylamino)-1,3,5-triazine-2,4-diyl)bis(piperidine-1,4-diyl))bis(propane-3,1-diyl))bis(piperidine-4,1-diyl))bis(1,3,5-triazine-6,2,4-triyl))tetrakis(piperazine-1-carboxylate) 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 12.0h， 以95%的产率得到
  参考文献：
  名称：

  Dendrimers Terminated with Dichlorotriazine Groups Provide a Route to Compositional Diversity

  摘要：

  Triazine dendrimers terminated with either four or eight dichlorotriazines can be prepared in high yields by reacting an amine-terminated dendrimer with cyanuric chloride. These materials exist as white powders and are stable to storage at room temperature. Sequential nucleophilic aromatic substitution with two different amine nucleophiles yields compounds that display the desired compositional diversity. Reaction conditions for the substitution were developed using a model dichlorotriazine with amine nucleophiles at -20,0, and 25 degrees C. Selective substitution is favored at lower temperatures and with more nucleophilic amine groups.

  DOI：

  10.1021/ol400811h
• 作为产物：
  描述：

  4,6-dichloro-N-(prop-2-yn-1-yl)-1,3,5-triazin-2-amine 、 Tert-butyl 4-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-6-[4-(3-piperidin-4-ylpropyl)piperidin-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 48.0h， 以73%的产率得到tetra-tert-butyl 4,4',4'',4'''-(((((6-(prop-2-yn-1-ylamino)-1,3,5-triazine-2,4-diyl)bis(piperidine-1,4-diyl))bis(propane-3,1-diyl))bis(piperidine-4,1-diyl))bis(1,3,5-triazine-6,2,4-triyl))tetrakis(piperazine-1-carboxylate)
  参考文献：
  名称：

  Dendrimers Terminated with Dichlorotriazine Groups Provide a Route to Compositional Diversity

  摘要：

  Triazine dendrimers terminated with either four or eight dichlorotriazines can be prepared in high yields by reacting an amine-terminated dendrimer with cyanuric chloride. These materials exist as white powders and are stable to storage at room temperature. Sequential nucleophilic aromatic substitution with two different amine nucleophiles yields compounds that display the desired compositional diversity. Reaction conditions for the substitution were developed using a model dichlorotriazine with amine nucleophiles at -20,0, and 25 degrees C. Selective substitution is favored at lower temperatures and with more nucleophilic amine groups.

  DOI：

  10.1021/ol400811h