3-(11-Acetylsulfanylundecanoylamino)propyl-dodecyl-dimethylazanium;bromide | 1145991-86-1

• 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: 3-(11-Acetylsulfanylundecanoylamino)propyl-dodecyl-dimethylazanium;bromide
• CAS: 1145991-86-1
• 化学式: Br*C₃₀H₆₁N₂O₂S
• 分子量: 593.797
• InChiKey: DHABRAVVVJOPLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.28
• 重原子数：
  36
• 可旋转键数：
  27
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  71.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(11-Acetylsulfanylundecanoylamino)propyl-dodecyl-dimethylazanium;bromide 在 盐酸 、 水 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以91%的产率得到
  参考文献：
  名称：

  Preparation and antimicrobial behaviour of quaternary ammonium thiol derivatives able to be grafted on metal surfaces

  摘要：

  New thiol derivatives containing a quaternary ammonium group bearing variable hydrocarbon chains via an amide connector or not between the sulphur and nitrogen atoms were synthesised with the future aim to be grafted on metal surfaces for obtaining contact-active auto-bactericidal surfaces. Their biostatic and bactericidal activities were evaluated against four microbial strains (Pseudomonas aeruginosa, Staphylococcus aureus, Aspergillus niger and Candida albicans). The presence of the thiol and amide functions in these surfactants was discussed in relation with the antimicrobial activity along with the influence of the length of alkyl chains in order to determine which molecular parameters are 'critical' for biological activity, and consequently what molecules must be chosen for grafting on metal surface. (c) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.05.007
• 作为产物：
  描述：

  S-[11-[3-(dimethylamino)propylamino]-11-oxoundecyl] ethanethioate 、 溴代十二烷 反应 48.0h， 以84%的产率得到3-(11-Acetylsulfanylundecanoylamino)propyl-dodecyl-dimethylazanium;bromide
  参考文献：
  名称：

  Preparation and antimicrobial behaviour of quaternary ammonium thiol derivatives able to be grafted on metal surfaces

  摘要：

  New thiol derivatives containing a quaternary ammonium group bearing variable hydrocarbon chains via an amide connector or not between the sulphur and nitrogen atoms were synthesised with the future aim to be grafted on metal surfaces for obtaining contact-active auto-bactericidal surfaces. Their biostatic and bactericidal activities were evaluated against four microbial strains (Pseudomonas aeruginosa, Staphylococcus aureus, Aspergillus niger and Candida albicans). The presence of the thiol and amide functions in these surfactants was discussed in relation with the antimicrobial activity along with the influence of the length of alkyl chains in order to determine which molecular parameters are 'critical' for biological activity, and consequently what molecules must be chosen for grafting on metal surface. (c) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.05.007

文献信息

• Preparation and antimicrobial behaviour of quaternary ammonium thiol derivatives able to be grafted on metal surfaces
  作者：Pascal Thebault、Elisabeth Taffin de Givenchy、Richard Levy、Yves Vandenberghe、Frédéric Guittard、Serge Géribaldi

  DOI：10.1016/j.ejmech.2008.05.007

  日期：2009.2

  New thiol derivatives containing a quaternary ammonium group bearing variable hydrocarbon chains via an amide connector or not between the sulphur and nitrogen atoms were synthesised with the future aim to be grafted on metal surfaces for obtaining contact-active auto-bactericidal surfaces. Their biostatic and bactericidal activities were evaluated against four microbial strains (Pseudomonas aeruginosa, Staphylococcus aureus, Aspergillus niger and Candida albicans). The presence of the thiol and amide functions in these surfactants was discussed in relation with the antimicrobial activity along with the influence of the length of alkyl chains in order to determine which molecular parameters are 'critical' for biological activity, and consequently what molecules must be chosen for grafting on metal surface. (c) 2008 Elsevier Masson SAS. All rights reserved.