ethyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-hydroxy-nonanoate | 1314024-56-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: ethyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-hydroxy-nonanoate
• 英文别名: Ethyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-hydroxynonanoate；ethyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-hydroxynonanoate
• CAS: 1314024-56-0
• 化学式: C₁₁H₉F₁₃O₃
• 分子量: 436.17
• InChiKey: CDCYZJVDIXMLFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  全氟庚酸甲酯 在 水 、 二异丁基氢化铝 、 lithium chloride 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 7.08h， 生成 ethyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-hydroxy-nonanoate
  参考文献：
  名称：

  Utilization of perfluoroalkanoate-derived aluminium acetals as the convenient fluorinated aldehyde precursors

  摘要：

  Aluminium acetals from the DIBAL partial reduction of perfluoroalkanoates 1 were successfully employed as the convenient and useful fluorinated aldehyde precursors, and reactions of such intermediates with sodium salts from some beta-dicarbonyl compounds 2 as well as their possible utility as the Michael acceptors after transformation to the corresponding alkylidene malonates 8 were also demonstrated. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.05.007