2-phenylpentafluoropropene oxide | 136978-18-2

• 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: 2-phenylpentafluoropropene oxide
• 英文别名: 2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane
• CAS: 136978-18-2
• 化学式: C₉H₅F₅O
• 分子量: 224.13
• InChiKey: MENKJNZMJJOPCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  甲醇 、 2-phenylpentafluoropropene oxide 在 cesium fluoride 作用下， 生成 α-phenyltetrafluoropropionic acid methyl ester
  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
• 作为产物：
  描述：

  2-phenyl-1-fluorosulfatopentafluoro-2-propanol 在 potassium fluoride 、 cesium fluoride 作用下， 以 乙二醇二甲醚 、 二乙二醇二甲醚 为溶剂， 反应 9.0h， 生成 2-phenylpentafluoropropene oxide
  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：——