1-ethyl 22-methyl 8,8,9,9,10,10,11,11-octafluoro-6,13-diiododocosanedioate | 873296-02-7

• 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: 1-ethyl 22-methyl 8,8,9,9,10,10,11,11-octafluoro-6,13-diiododocosanedioate
• CAS: 873296-02-7
• 化学式: C₂₅H₃₈F₈I₂O₄
• 分子量: 808.371
• InChiKey: JAZWJKKFEVQMLD-UHFFFAOYSA-N

物化性质

• 沸点：
  536.8±50.0 °C(Predicted)
• 密度：
  1.524±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.33
• 重原子数：
  39.0
• 可旋转键数：
  22.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-ethyl 22-methyl 8,8,9,9,10,10,11,11-octafluoro-6,13-diiododocosanedioate 在 palladium on activated charcoal 氢氧化钾 、 氢气 、 碳酸氢钠 作用下， 以 甲醇 为溶剂， 生成 8,8,9,9,10,10,11,11-octafluorodocosanedioic acid
  参考文献：
  名称：

  The structure and properties of hybrid fluorous-hydrocarbon fatty acids

  摘要：

  A series of long chain fatty acids is prepared with alternating blocks of fluorocarbon and hydrocarbon. This hybrid construction provides three domains (fluorous, hydrocarbon, hydrophilic) on the same molecule. The ability of the monocarboxylic acids to form monolayers on water is explored and, in selected cases, X-ray structure analysis of the dicarboxylic acids provides information on the conformation and solid state organisation of these molecules. The hybrid molecules display surface behaviour and show packing distances which are intermediate between alkyl and perfluoroalkyl chains. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2005.03.017
• 作为产物：
  描述：

  6-庚烯酸乙酯 、 10-烯酸甲酯 、 1,4-二碘全氟丁烷 在 copper diacetate 、 增效醚 作用下， 以 甲醇 为溶剂， 反应 65.0h， 以44%的产率得到1-ethyl 22-methyl 8,8,9,9,10,10,11,11-octafluoro-6,13-diiododocosanedioate
  参考文献：
  名称：

  The structure and properties of hybrid fluorous-hydrocarbon fatty acids

  摘要：

  A series of long chain fatty acids is prepared with alternating blocks of fluorocarbon and hydrocarbon. This hybrid construction provides three domains (fluorous, hydrocarbon, hydrophilic) on the same molecule. The ability of the monocarboxylic acids to form monolayers on water is explored and, in selected cases, X-ray structure analysis of the dicarboxylic acids provides information on the conformation and solid state organisation of these molecules. The hybrid molecules display surface behaviour and show packing distances which are intermediate between alkyl and perfluoroalkyl chains. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2005.03.017