[2-(2,2,3,3,4,4,4-Heptafluorobutanoyloxymethyl)-2-(hydroxymethyl)butyl] 2,2,3,3,4,4,4-heptafluorobutanoate | 1137546-39-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: [2-(2,2,3,3,4,4,4-Heptafluorobutanoyloxymethyl)-2-(hydroxymethyl)butyl] 2,2,3,3,4,4,4-heptafluorobutanoate
• 英文别名: [2-(2,2,3,3,4,4,4-heptafluorobutanoyloxymethyl)-2-(hydroxymethyl)butyl] 2,2,3,3,4,4,4-heptafluorobutanoate
• CAS: 1137546-39-4
• 化学式: C₁₄H₁₂F₁₄O₅
• 分子量: 526.224
• InChiKey: YMWXZUYNCLNJIR-UHFFFAOYSA-N

物化性质

• 沸点：
  301.4±37.0 °C(predicted)
• 密度：
  1.544±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  19

反应信息

• 作为产物：
  描述：

  七氟丁酸 、 三羟甲基丙烷 在 硅酸四乙酯 、 硫酸 作用下， 以 水 为溶剂， 反应 3.0h， 生成 1,1,1-Tris(hydroxymethyl)propane, tri(heptafluorobutyrate) 、 2,2-bis(hydroxymethyl)butyl 2,2,3,3,4,4,4-heptafluorobutanoate 、 [2-(2,2,3,3,4,4,4-Heptafluorobutanoyloxymethyl)-2-(hydroxymethyl)butyl] 2,2,3,3,4,4,4-heptafluorobutanoate
  参考文献：
  名称：

  Synthesis and GC-MS study of fluorinated esters derived from thrimethylolpropane

  摘要：

  Zol-gel process was used to synthesize equilibrium mixtures of mono-, di-, and trimester derived from trimethylolpropane and perfluorocarboxylic acids. The elution order of the components of the mixtures from a weakly polar HP-5 column was established. The mass spectra of the synthesized compounds were studied. The GC-MS parameters of the products were compared with the respective parameters of their nonfluorinated analogs. The characteristics of the fluorinated esters have features determined by the esterification degree and the nature of the perfluoroalkyl groups, due to which these compounds can be identified in mixtures.

  DOI：

  10.1134/s1070363208090107

文献信息

• Synthesis and GC-MS study of fluorinated esters derived from thrimethylolpropane
  作者：M. G. Pervova、V. E. Kirichenko、T. I. Gorbunova、A. Ya. Zapevalov、V. I. Saloutin

  DOI：10.1134/s1070363208090107

  日期：2008.9

  Zol-gel process was used to synthesize equilibrium mixtures of mono-, di-, and trimester derived from trimethylolpropane and perfluorocarboxylic acids. The elution order of the components of the mixtures from a weakly polar HP-5 column was established. The mass spectra of the synthesized compounds were studied. The GC-MS parameters of the products were compared with the respective parameters of their nonfluorinated analogs. The characteristics of the fluorinated esters have features determined by the esterification degree and the nature of the perfluoroalkyl groups, due to which these compounds can be identified in mixtures.