1-(2-(dimethylamino)ethyl)-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)urea | 175171-85-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 1-(2-(dimethylamino)ethyl)-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)urea
• CAS: 175171-85-4
• 化学式: C₁₃H₁₆F₁₃N₃O
• 分子量: 477.269
• InChiKey: QIGISKMDQPDVOJ-UHFFFAOYSA-N

物化性质

• 沸点：
  346.478±42.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.419±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.98
• 重原子数：
  30.0
• 可旋转键数：
  10.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  44.37
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1,4-二溴丁烷 、 1-(2-(dimethylamino)ethyl)-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)urea 以 氯仿 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Enhanced activity of fluorinated quaternary ammonium surfactants against Pseudomonas aeruginosa

  摘要：

  A novel series of fluorinated quaternary bisammonium surfactants has been synthesized in view to optimize their antimicrobial activities against Pseudomonas aeruginosa. As compared with commercial references, most of the new surfactants synthesized exhibit an enhanced activity which is discussed as a function of the nature of the spacer group between the quaternized nitrogen atoms and of the nature of the connector function between the nitrogen atoms and the perfluorinated carbon chains. It appears that the fluorinated "Gemini" surfactants bearing an amide connector can be an interesting alternative to hydrocarbon ammonium salts as preservatives and disinfectants against R aeruginosa. (c) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.07.032
• 作为产物：
  描述：

  2-perfluorohexyl ethyl isocyanate 、 N,N-二甲基乙二胺 以 乙醚 为溶剂， 以90%的产率得到1-(2-(dimethylamino)ethyl)-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)urea
  参考文献：
  名称：

  Enhanced activity of fluorinated quaternary ammonium surfactants against Pseudomonas aeruginosa

  摘要：

  A novel series of fluorinated quaternary bisammonium surfactants has been synthesized in view to optimize their antimicrobial activities against Pseudomonas aeruginosa. As compared with commercial references, most of the new surfactants synthesized exhibit an enhanced activity which is discussed as a function of the nature of the spacer group between the quaternized nitrogen atoms and of the nature of the connector function between the nitrogen atoms and the perfluorinated carbon chains. It appears that the fluorinated "Gemini" surfactants bearing an amide connector can be an interesting alternative to hydrocarbon ammonium salts as preservatives and disinfectants against R aeruginosa. (c) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.07.032