methyl 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-henicosafluoro-10-iodohenicosanoate | 873296-06-1

• 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: methyl 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-henicosafluoro-10-iodohenicosanoate
• CAS: 873296-06-1
• 化学式: C₂₂H₂₂F₂₁IO₂
• 分子量: 844.286
• InChiKey: IBMPILQVFVOPPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.75
• 重原子数：
  46.0
• 可旋转键数：
  19.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  methyl 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-henicosafluoro-10-iodohenicosanoate 在 palladium on activated charcoal 氢气 、 碳酸氢钠 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 18.0h， 生成 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-Henicosafluoro-henicosanoic acid methyl ester
  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：

  10-烯酸甲酯 、 1-碘全氟癸烷 在 偶氮二异丁腈 作用下， 反应 19.0h， 以38%的产率得到methyl 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-henicosafluoro-10-iodohenicosanoate
  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