N-cyclododecyl-N'-[2-(cyclododecylamino)ethyl]-N'-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]ethane-1,2-diamine | 139201-03-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-cyclododecyl-N'-[2-(cyclododecylamino)ethyl]-N'-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]ethane-1,2-diamine
• CAS: 139201-03-9
• 化学式: C₃₈H₇₄N₄O₂
• 分子量: 619.031
• InChiKey: JSQNVILEWJJXSR-UHFFFAOYSA-N

物化性质

• 沸点：
  725.8±60.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  44
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  57.8
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  bis(2-aminoethyl)(2-benzylaminoethyl)amine 在 钯 甲酸 、 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 55.5h， 生成 N-cyclododecyl-N'-[2-(cyclododecylamino)ethyl]-N'-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]ethane-1,2-diamine
  参考文献：
  名称：

  Cholesterol-lowering bile acid-binding agents: novel lipophilic polyamines

  摘要：

  A series of novel lipophilic polyamines was synthesized by the sodium cyanoborohydride-mediated reductive amination of various ketones and aldehydes with the polyamine tris(2-aminoethyl)amine. Two of these compounds, N,N-bis[2-(cyclododecylamino)ethyl]-N'-benzyl-1,2-ethanediamine trihydrochloride (36.3HCl) and N,N-bis[2-(cyclododecylmethylamino)ethyl]-N',N'-dimethyl-1,2-ethaediamine (23), are 29 and 24 times more potent than colestipol hydrochloride, respectively, for lowering animal serum cholesterol levels.

  DOI：

  10.1021/jm00085a011

文献信息

• Cholesterol-lowering bile acid-binding agents: novel lipophilic polyamines
  作者：Edward W. Thomas、Michele M. Cudahy、Charles H. Spilman、Dac M. Dinh、Tommie L. Watkins、Thomas J. Vidmar

  DOI：10.1021/jm00085a011

  日期：1992.4

  A series of novel lipophilic polyamines was synthesized by the sodium cyanoborohydride-mediated reductive amination of various ketones and aldehydes with the polyamine tris(2-aminoethyl)amine. Two of these compounds, N,N-bis[2-(cyclododecylamino)ethyl]-N'-benzyl-1,2-ethanediamine trihydrochloride (36.3HCl) and N,N-bis[2-(cyclododecylmethylamino)ethyl]-N',N'-dimethyl-1,2-ethaediamine (23), are 29 and 24 times more potent than colestipol hydrochloride, respectively, for lowering animal serum cholesterol levels.