N-benzyl-N',N'-bis[2-(cyclododecylamino)ethyl]ethane-1,2-diamine | 139201-04-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-benzyl-N',N'-bis[2-(cyclododecylamino)ethyl]ethane-1,2-diamine
• CAS: 139201-04-0
• 化学式: C₃₇H₆₈N₄
• 分子量: 568.974
• InChiKey: OMBUEWSJCNOBSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  41
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  39.3
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-benzyl-N',N'-bis[2-(cyclododecylamino)ethyl]ethane-1,2-diamine 在 钯 甲酸 作用下， 以 甲醇 为溶剂， 反应 12.0h， 生成 3-<<2-amino>ethyl>amino>propanenitrile
  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
• 作为产物：
  描述：

  三(2-氨基乙基)胺 在 palladium on activated charcoal molecular sieve 、 氢气 、 sodium cyanoborohydride 、 溶剂黄146 作用下， 反应 120.5h， 生成 N-benzyl-N',N'-bis[2-(cyclododecylamino)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