N-(2-{4-[2-(ethylamino)ethyl]-1,4-diazepan-1-yl}ethyl)-1-butanamine | 1061274-48-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂卓
• 英文名称: N-(2-{4-[2-(ethylamino)ethyl]-1,4-diazepan-1-yl}ethyl)-1-butanamine
• 英文别名: N-[2-[4-[2-(ethylamino)ethyl]-1,4-diazepan-1-yl]ethyl]butan-1-amine
• CAS: 1061274-48-3
• 化学式: C₁₅H₃₄N₄
• 分子量: 270.462
• InChiKey: UUIYOJQIOLOTBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  30.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-{4-[2-(acetylamino)acetyl]-1,4-diazepan-1-yl}-N-butylacetamide 在 硼烷四氢呋喃络合物 、 palladium hydroxide on carbon 、 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 24.0h， 以36%的产率得到N-(2-{4-[2-(ethylamino)ethyl]-1,4-diazepan-1-yl}ethyl)-1-butanamine
  参考文献：
  名称：

  A Concise Entry into Nonsymmetrical Alkyl Polyamines

  摘要：

  The synthesis of nonsymmetrical polyamines (PAs) has, up to now, been problematic due to lengthy synthetic procedures, lack of regioselectivity, and very poor atom economy. An innovative synthetic protocol for nonsymmetrical PAs using a modified Ugi reaction (N-split Ugi) which simplifies the synthesis of these tricky compounds is described. We believe that this new synthesis may open the door for the generation of new and pharmacologically active PAs.

  DOI：

  10.1021/ol801612r

文献信息

• A Concise Entry into Nonsymmetrical Alkyl Polyamines
  作者：Tracey Pirali、Grazia Callipari、Emanuela Ercolano、Armando A. Genazzani、Giovanni Battista Giovenzana、Gian Cesare Tron

  DOI：10.1021/ol801612r

  日期：2008.10.2

  The synthesis of nonsymmetrical polyamines (PAs) has, up to now, been problematic due to lengthy synthetic procedures, lack of regioselectivity, and very poor atom economy. An innovative synthetic protocol for nonsymmetrical PAs using a modified Ugi reaction (N-split Ugi) which simplifies the synthesis of these tricky compounds is described. We believe that this new synthesis may open the door for the generation of new and pharmacologically active PAs.