9-(3-phenyl-4,5-dihydroisoxazol-5-yl)nonyl 2-chloroacetate | 1384182-49-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 9-(3-phenyl-4,5-dihydroisoxazol-5-yl)nonyl 2-chloroacetate
• CAS: 1384182-49-3
• 化学式: C₂₀H₂₈ClNO₃
• 分子量: 365.9
• InChiKey: OOAJETAJXMHKBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.08
• 重原子数：
  25.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  47.89
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  9-(3-phenyl-4,5-dihydroisoxazol-5-yl)nonyl 2-chloroacetate 、 1H-苯并咪唑-2-硫醇 在 potassium carbonate 、 sodium iodide 作用下， 以 丙酮 、 二氯甲烷 为溶剂， 反应 2.0h， 以76%的产率得到9-(3-phenyl-4,5-dihydroisoxazol-5-yl)nonyl-2-(1H-benzo[d]imidazol-2-ylthio)acetate
  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：

  2-十一烯酸 在 sodium hypochlorite 、 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 7.75h， 生成 9-(3-phenyl-4,5-dihydroisoxazol-5-yl)nonyl 2-chloroacetate
  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