1-<propyl>amino>carbonyl>adamantane | 136587-01-4

• 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-<propyl>amino>carbonyl>adamantane
• 英文别名: Ditert-butyl 4-(adamantane-1-carbonylamino)-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate
• CAS: 136587-01-4
• 化学式: C₃₃H₅₅NO₇
• 分子量: 577.802
• InChiKey: UHRVKHXVPNWMMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  41
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-<propyl>amino>carbonyl>adamantane 在 甲酸 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 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：

  di-tert-butyl 4-<2-(tert-butoxycarbonyl)ethyl>-4-nitroheptanedicarboxylate 在 T-1 Raney Ni 、 氢气 、 三乙胺 作用下， 以 乙醇 、 苯 为溶剂， 25.0~60.0 ℃ 、344.73 kPa 条件下， 反应 44.0h， 生成 1-<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

文献信息

• Chemistry of micelles. 18. Cascade polymers: syntheses and characterization of one-directional arborols based on adamantane
  作者：George R. Newkome、Rajani K. Behera、Charles N. Moorefield、Gregory R. Baker

  DOI：10.1021/jo00025a038

  日期：1991.12

  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.