1-<amino>carbonyl>-1,1-bis<2-<amino>carbonyl>ethyl>propyl>amino>carbonyl>adamantane | 136586-98-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-<amino>carbonyl>-1,1-bis<2-<amino>carbonyl>ethyl>propyl>amino>carbonyl>adamantane
• 英文别名: 4-(adamantane-1-carbonylamino)-N,N'-bis[1,7-dihydroxy-4-(3-hydroxypropyl)heptan-4-yl]-4-[3-[[1,7-dihydroxy-4-(3-hydroxypropyl)heptan-4-yl]amino]-3-oxopropyl]heptanediamide
• CAS: 136586-98-6
• 化学式: C₅₁H₉₄N₄O₁₃
• 分子量: 971.326
• InChiKey: IQKNYQHPXJGXHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  68
• 可旋转键数：
  41
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  299
• 氢给体数：
  13
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 1-<amino>carbonyl>-1,1-bis<2-<amino>carbonyl>ethyl>propyl>amino>carbonyl>adamantane 在 吡啶 作用下， 反应 18.0h， 生成 1-<amino>carbonyl>-1,1-bis<2-<amino>carbonyl>ethyl>propyl>amino>carbonyl>adamantane
  参考文献：
  名称：

  Chemistry of micelles. 18. Cascade polymers: syntheses and characterization of one-directional arborols based on adamantane

  摘要：

  Several methods for the synthesis of cascade polymers (dendritic macromolecules) on adamantane have been investigated. The synthesis of two novel, branched monomers, 4-amino-4-(3-acetoxypropyl)-1,7-diacetoxyheptane and di-tert-butyl 4-amino-4-[2-(tert-butoxycarbonyl)ethyl]heptanedioate, possessing 3-fold symmetry and branches emanating from a tetrahedral carbon branch point, is described. These monomers were reacted with a monofunctional adamantane core to evaluate the reaction efficiency, ease of purification of products, and spectral characteristics.

  DOI：

  10.1021/jo00025a038
• 作为产物：
  描述：

  1-<amino>carbonyl>adamantane 在 potassium carbonate 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 39.0h， 生成 1-<amino>carbonyl>-1,1-bis<2-<amino>carbonyl>ethyl>propyl>amino>carbonyl>adamantane
  参考文献：
  名称：

  Chemistry of micelles. 18. Cascade polymers: syntheses and characterization of one-directional arborols based on adamantane

  摘要：

  Several methods for the synthesis of cascade polymers (dendritic macromolecules) on adamantane have been investigated. The synthesis of two novel, branched monomers, 4-amino-4-(3-acetoxypropyl)-1,7-diacetoxyheptane and di-tert-butyl 4-amino-4-[2-(tert-butoxycarbonyl)ethyl]heptanedioate, possessing 3-fold symmetry and branches emanating from a tetrahedral carbon branch point, is described. These monomers were reacted with a monofunctional adamantane core to evaluate the reaction efficiency, ease of purification of products, and spectral characteristics.

  DOI：

  10.1021/jo00025a038