6-hydroxyhexanoic acid decyl amide | 165956-72-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 6-hydroxyhexanoic acid decyl amide
• 英文别名: N-decyl-6-hydroxyhexanamide
• CAS: 165956-72-9
• 化学式: C₁₆H₃₃NO₂
• 分子量: 271.444
• InChiKey: WOHUKCVBVQJBAB-UHFFFAOYSA-N

物化性质

• 沸点：
  436.2±28.0 °C(Predicted)
• 密度：
  0.916±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-hydroxyhexanoic acid decyl amide 、 氯甲酸正辛酯 在 吡啶 作用下， 以75%的产率得到(5-decylaminocarbonylpentyl) octyl carbonate
  参考文献：
  名称：

  Synthesis and transdermal penetration-enhancing activity of carbonic and carbamic acid esters—Comparison with transkarbam 12

  摘要：

  Transkarbam 12 (T12) is a novel transdermal penetration enhancer with high activity. Its polar head group is formed by carbamic acid salt that is unstable in acidic environment and releases CO2 To find out whether this property influences its high activity, two series of compounds with CO2 stronger bound in the polar head have been prepared-carbonic and carbamic acid esters. The carbamate salt in the polar head was found to be essential for the enhancing activity and its decomposition in an acidic environment suggested relating to the mode of action of T12. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.086
• 作为产物：
  描述：

  6-己内酯 、 1-氨基癸烷 在 sodium methylate 作用下， 以93%的产率得到6-hydroxyhexanoic acid decyl amide
  参考文献：
  名称：

  Synthesis and transdermal penetration-enhancing activity of carbonic and carbamic acid esters—Comparison with transkarbam 12

  摘要：

  Transkarbam 12 (T12) is a novel transdermal penetration enhancer with high activity. Its polar head group is formed by carbamic acid salt that is unstable in acidic environment and releases CO2 To find out whether this property influences its high activity, two series of compounds with CO2 stronger bound in the polar head have been prepared-carbonic and carbamic acid esters. The carbamate salt in the polar head was found to be essential for the enhancing activity and its decomposition in an acidic environment suggested relating to the mode of action of T12. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.086

文献信息

• US4195096A
  申请人：——

  公开号：US4195096A

  公开（公告）日：1980-03-25
• US4325973A
  申请人：——

  公开号：US4325973A

  公开（公告）日：1982-04-20