5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-3-iodo-1-phenyl-decan-1-ol | 260789-43-3

• 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: 5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-3-iodo-1-phenyl-decan-1-ol
• 英文别名: 5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-3-iodo-1-phenyldecan-1-ol
• CAS: 260789-43-3
• 化学式: C₁₆H₁₂F₁₃IO
• 分子量: 594.154
• InChiKey: KAZAXVBOOFOJND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  一氧化碳 、 5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-3-iodo-1-phenyl-decan-1-ol 在 偶氮二异丁腈 、 烯丙基三丁基锡 、 三乙胺 作用下， 以 正己烷 为溶剂， 80.0 ℃ 、4.56 MPa 条件下， 反应 12.0h， 生成 cis-2-perfluorohexylmethyl-4-phenyl-γ-butyrolactone 、 trans-2-perfluorohexylmethyl-4-phenyl-γ-butyrolactone
  参考文献：
  名称：

  Lactone Synthesis Based on Atom Transfer Carbonylation

  摘要：

  [GRAPHICS]Five- to seven-membered lactones were prepared from omega-hydroxyalkyl iodides and CO by atom transfer carbonylation without the need for transition metal catalysts, The reaction proceeds via a hybrid radical/ionic mechanism in which the intramolecular alcoholysis of an omega-hydroxyacyl iodide, arising from atom transfer carbonylation, leads to the lactone.

  DOI：

  10.1021/ol9913441
• 作为产物：
  描述：

  全氟己基碘烷 、 1-苯基-3-丁烯-1-醇 生成 5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-3-iodo-1-phenyl-decan-1-ol
  参考文献：
  名称：

  Lactone Synthesis Based on Atom Transfer Carbonylation

  摘要：

  [GRAPHICS]Five- to seven-membered lactones were prepared from omega-hydroxyalkyl iodides and CO by atom transfer carbonylation without the need for transition metal catalysts, The reaction proceeds via a hybrid radical/ionic mechanism in which the intramolecular alcoholysis of an omega-hydroxyacyl iodide, arising from atom transfer carbonylation, leads to the lactone.

  DOI：

  10.1021/ol9913441