{[2-(dodecylthio)acetyl]azanediyl}bis(ethane-2,1-diyl)bis(11-bromoundecanoate) | 1384182-53-9

• 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: {[2-(dodecylthio)acetyl]azanediyl}bis(ethane-2,1-diyl)bis(11-bromoundecanoate)
• CAS: 1384182-53-9
• 化学式: C₄₀H₇₅Br₂NO₅S
• 分子量: 841.913
• InChiKey: WJLBOAIZVPAMCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.37
• 重原子数：
  49.0
• 可旋转键数：
  39.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  72.91
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  {[2-(dodecylthio)acetyl]azanediyl}bis(ethane-2,1-diyl)bis(11-bromoundecanoate) 、 1H-苯并咪唑-2-硫醇 在 potassium carbonate 、 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 20.25h， 以74%的产率得到{[2-(dodecylthio)acetyl]azanediyl}bis(ethane-2,1-diyl)bis-11-(benzimidazole-2-ylthio)undecanoate
  参考文献：
  名称：

  Synthesis and Characterization of Some Novel Higher C,N-Diphenyl Nitrones, Isoxazolines, and Mercaptobenzimidazoles as Oleochemicals

  摘要：

  Some novel long-chain nitrones, isoxazolines, and (1H-benzo[d]-imidazol-2-ylthio) derivatives were synthesized. Nitrones, N-{4-[2-(tetradecylthio) acetoxy] benzylidene} aniline oxide, and N-[4-(12-oxo-2,5,8,11-tetraoxadocosan-22-yloxy)benzylidene]aniline oxide were prepared via the reaction of beta-phenylhydroxylamine with the corresponding aromatic aldehydes. The isoxazolines were prepared from undec-10-en-1-ol and benzonitrile-N-oxide which was generated in situ. The 1H-benzo[d]-imidazol-2-ylthio derivatives were synthesized via the replacement reaction of omega-bromo esters and 2-mercaptobenzimidazole.

  DOI：

  10.1080/10426507.2012.657312
• 作为产物：
  描述：

  (十二烷基硫代)乙酸 在 草酰氯 、 magnesium oxide 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 甲苯 为溶剂， 生成 {[2-(dodecylthio)acetyl]azanediyl}bis(ethane-2,1-diyl)bis(11-bromoundecanoate)
  参考文献：
  名称：

  Synthesis and Characterization of Some Novel Higher C,N-Diphenyl Nitrones, Isoxazolines, and Mercaptobenzimidazoles as Oleochemicals

  摘要：

  Some novel long-chain nitrones, isoxazolines, and (1H-benzo[d]-imidazol-2-ylthio) derivatives were synthesized. Nitrones, N-{4-[2-(tetradecylthio) acetoxy] benzylidene} aniline oxide, and N-[4-(12-oxo-2,5,8,11-tetraoxadocosan-22-yloxy)benzylidene]aniline oxide were prepared via the reaction of beta-phenylhydroxylamine with the corresponding aromatic aldehydes. The isoxazolines were prepared from undec-10-en-1-ol and benzonitrile-N-oxide which was generated in situ. The 1H-benzo[d]-imidazol-2-ylthio derivatives were synthesized via the replacement reaction of omega-bromo esters and 2-mercaptobenzimidazole.

  DOI：

  10.1080/10426507.2012.657312