1,2,4-tris(2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-pentadecafluoro-(1Z)-nonenyl)benzene

• 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: 1,2,4-tris(2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-pentadecafluoro-(1Z)-nonenyl)benzene
• 英文别名: 1,2,4-tris[(Z)-2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-pentadecafluoronon-1-enyl]benzene
• 化学式: C₃₃H₉F₄₅
• 分子量: 1260.36
• InChiKey: IQIPDYCOZSAICS-IPZRWXRCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.5
• 重原子数：
  78
• 可旋转键数：
  24
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  45

反应信息

• 作为产物：
  描述：

  1H,1H,9H-十六氟-1-壬醇 在 bis(1,5-cyclooctadiene)nickel (0) 、 四(三苯基膦)钯 potassium fluoride 、 氢氧化钾 、 copper(l) iodide 、 碘 、 二乙胺 、 三苯基膦 作用下， 以 甲醇 、 乙醚 、 二甲基亚砜 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 26.58h， 生成 1,2,4-tris(2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-pentadecafluoro-(1Z)-nonenyl)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

文献信息

• Highly Regioselective Cyclotrimerization of 1-Perfluoroalkylenynes Catalyzed by Nickel
  作者：Shinichi Saito、Taishi Kawasaki、Norie Tsuboya、Yoshinori Yamamoto

  DOI：10.1021/jo0056242

  日期：2001.2.1

  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.