Phenyl-trifluormethyl-fluoressigsaeure | 13540-49-3

• 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: Phenyl-trifluormethyl-fluoressigsaeure
• 英文别名: 2,3,3,3-Tetrafluoro-2-phenylpropanoic acid
• CAS: 13540-49-3
• 化学式: C₉H₆F₄O₂
• 分子量: 222.139
• InChiKey: BHZQQRBHYIYZMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-phenyl-1-fluorosulfatopentafluoro-2-propanol 在 盐酸 、 cesium fluoride 作用下， 以 二乙二醇二甲醚 为溶剂， 反应 6.0h， 生成 Phenyl-trifluormethyl-fluoressigsaeure
  参考文献：
  名称：

  Synthesis and reactivity of polyfluorinated fluorosulfatocarbinols in the presence of bases

  摘要：

  Compounds CF3CR(OH)CF2OSO2F (I) (R = MeO, Ph) were synthesized by the reaction of alpha-(fluorosulfato)pentafluoroacetone with MeOH or C6H6/AlCl3. In the presence of bases compound (I), depending on the reaction conditions, forms either cyclic sulfates or products of their isomerization - substituted alpha-fluorosulfato-trifluoropropionic acid fluorides which are capable of nucleophilic substitution of FSO3 groups in reaction with the nucleophiles.

  DOI：

  10.1007/bf00961240

文献信息

• DELYAGINA, N. I.;ROGOVIK, V. M.;CHERSTKOV, V. F.;STERLIN, S. R.;GERMAN, L+, IZV. AN CCCP. CEP. XIM.,(1991) N, S. 1584-1588
  作者：DELYAGINA, N. I.、ROGOVIK, V. M.、CHERSTKOV, V. F.、STERLIN, S. R.、GERMAN, L+

  DOI：——

  日期：——
• Synthesis and reactivity of polyfluorinated fluorosulfatocarbinols in the presence of bases
  作者：N. I. Delyagina、V. M. Rogovik、V. F. Cherstkov、S. R. Sterlin、L. S. German

  DOI：10.1007/bf00961240

  日期：1991.7

  Compounds CF3CR(OH)CF2OSO2F (I) (R = MeO, Ph) were synthesized by the reaction of alpha-(fluorosulfato)pentafluoroacetone with MeOH or C6H6/AlCl3. In the presence of bases compound (I), depending on the reaction conditions, forms either cyclic sulfates or products of their isomerization - substituted alpha-fluorosulfato-trifluoropropionic acid fluorides which are capable of nucleophilic substitution of FSO3 groups in reaction with the nucleophiles.