1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-(7E)-hexadecen-9-yne | 329698-03-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-(7E)-hexadecen-9-yne
• 英文别名: (E)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-en-9-yne
• CAS: 329698-03-5
• 化学式: C₁₆H₁₅F₁₃
• 分子量: 454.274
• InChiKey: OJGIPIIKNZGPQQ-MDZDMXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-(7E)-hexadecen-9-yne 在 bis(1,5-cyclooctadiene)nickel (0) 三苯基膦 作用下， 以 甲苯 为溶剂， 反应 28.5h， 以47%的产率得到1,2,4-Trihexyl-3,5,6-tris-((E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-oct-1-enyl)-benzene
  参考文献：
  名称：

  Highly Regioselective Cyclotrimerization of 1-Perfluoroalkylenynes Catalyzed by Nickel

  摘要：

  We report the highly regioselective cyclotrimerization of the 1-perfluoroalkylenynes in the presence of Ni(PPh3)(4). The substituent effects on the reactivity of the enynes were investigated. We also succeeded in the nickel-catalyzed cocyclization of the 1-perfluoroalkylenynes with (trimethylsilyl)acetylene. The possible structures of the intermediates of the cyclotrimerization and the reasons for the observed high regioselectivity were discussed.

  DOI：

  10.1021/jo0056242
• 作为产物：
  描述：

  全氟己基碘烷 在 四(三苯基膦)钯 copper(l) iodide 、 铜 、 二乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 74.0h， 生成 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-(7E)-hexadecen-9-yne
  参考文献：
  名称：

  Highly Regioselective Cyclotrimerization of 1-Perfluoroalkylenynes Catalyzed by Nickel

  摘要：

  We report the highly regioselective cyclotrimerization of the 1-perfluoroalkylenynes in the presence of Ni(PPh3)(4). The substituent effects on the reactivity of the enynes were investigated. We also succeeded in the nickel-catalyzed cocyclization of the 1-perfluoroalkylenynes with (trimethylsilyl)acetylene. The possible structures of the intermediates of the cyclotrimerization and the reasons for the observed high regioselectivity were discussed.

  DOI：

  10.1021/jo0056242