4-(tri-n-butylstannyl)-3(E)-butenyl 10-oxoundecanoate | 108510-77-6

• 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: 4-(tri-n-butylstannyl)-3(E)-butenyl 10-oxoundecanoate
• 英文别名: [(E)-4-tributylstannylbut-3-enyl] 10-oxoundecanoate
• CAS: 108510-77-6
• 化学式: C₂₇H₅₂O₃Sn
• 分子量: 543.418
• InChiKey: FTGLWVSBITZREO-UHFFFAOYSA-N

物化性质

• 沸点：
  543.5±60.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.57
• 重原子数：
  31.0
• 可旋转键数：
  22.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-(tri-n-butylstannyl)-3(E)-butenyl 10-oxoundecanoate 、 三氟甲烷磺基苯胺 、 sodium hexamethyldisilazane 以 四氢呋喃 为溶剂， 以80%的产率得到4-(tri-n-butylstannyl)-3(E)-butenyl 10-(((trifluoromethyl)sulfonyl)oxy)undec-10-enoate
  参考文献：
  名称：

  通过具有三氟甲磺酸乙烯酯和乙烯基锡烷末端的酯的均相和聚合物负载的钯催化的羰基偶联反应合成大环酮内酯

  摘要：

  Large-ring keto lactones having from 12 to 16 members were synthesized in fair yield by the palladium-catalyzed carbonylative coupling of long-chain esters having vinyl triflate and vinylstannane termini. A polystyrene-supported bis(diphenylphosphino)ferrocene ligand system was synthesized by the co-polymerization of styrene, p-divinylbenzene, and bis(diphenylphosphino)vinylferrocene. Palladium catalysts supported on this polymer were more selective in these carbonylative cyclizations than were corresponding homogeneous catalyst systems.

  DOI：

  10.1021/om00052a054
• 作为产物：
  描述：

  10-氧代十一烷酸 、 N,N'-二环己基碳二亚胺 、 (E)-4-(tributylstannyl)but-3-en-1-ol 以 二氯甲烷 为溶剂， 以76%的产率得到4-(tri-n-butylstannyl)-3(E)-butenyl 10-oxoundecanoate
  参考文献：
  名称：

  通过具有三氟甲磺酸乙烯酯和乙烯基锡烷末端的酯的均相和聚合物负载的钯催化的羰基偶联反应合成大环酮内酯

  摘要：

  Large-ring keto lactones having from 12 to 16 members were synthesized in fair yield by the palladium-catalyzed carbonylative coupling of long-chain esters having vinyl triflate and vinylstannane termini. A polystyrene-supported bis(diphenylphosphino)ferrocene ligand system was synthesized by the co-polymerization of styrene, p-divinylbenzene, and bis(diphenylphosphino)vinylferrocene. Palladium catalysts supported on this polymer were more selective in these carbonylative cyclizations than were corresponding homogeneous catalyst systems.

  DOI：

  10.1021/om00052a054