2-Bromo-1,1,1,2,4,5,5,5-octafluoro-4-trifluoromethyl-pentan-3-one | 132182-86-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Bromo-1,1,1,2,4,5,5,5-octafluoro-4-trifluoromethyl-pentan-3-one
• 英文别名: 2-bromo-1,1,1,2,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-3-one
• CAS: 132182-86-6
• 化学式: C₆BrF₁₁O
• 分子量: 376.952
• InChiKey: VRTFIWXPZNCMRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.01
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  fluorosulfuric acid 1,3,4,4,4-pentafluoro-2-oxo-1,3-bis-trifluoromethyl-butyl ester 在 lithium bromide 作用下， 以 二乙二醇二甲醚 为溶剂， 反应 2.0h， 以11%的产率得到1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl).2,3-pentane-dione
  参考文献：
  名称：

  Interaction of perfluorinated α-fluorosulfatocarbonyl compounds with nucleophilic reagents

  摘要：

  alpha-Perfluorosulfatoperfluorocarbonyl compounds interact with alkaline metals halogenides to form the corresponding alpha-halo derivatives as a result of the direct nucleophilic substitution of the FSO3 group. Through the action of halogenide anions on perfluorinated alpha,beta-bis-fluorosulfatocarbonyl compounds, substitution by halogen of the FSO3 group in the alpha-position to the carbonyl takes place. However, the FSO3 group in the beta-position is cleaved, which allows alpha-substituted beta-dicarbonyl derivatives to be obtained.

  DOI：

  10.1016/s0022-1139(00)80858-1

文献信息

• Fluoroaliphatic esters of fluorosulfonic acid. 4. Reactions of ?-fluorosulfatoperfluoro ketones with nucleophilic reagents
  作者：V. M. Rogovik、N. I. Delyagina、E. I. Mysov、V. F. Cherstkov、S. R. Sterlin、L. S. German

  DOI：10.1007/bf00958254

  日期：1990.9

  alpha-Fluorosulfatoperfluoroethyl isopropyl ketone I and fluorosulfatopentafluoroacetone II react with alkali metal chlorides and bromides to form the corresponding alpha-haloperfluoro ketones as a result of direct nucleophilic substitution.
• ROGOVIK, V. M.;DELYAGINA, N. I.;MYSOV, E. I.;CHERSTKOV, V. F.;STERLIN, S.+, IZV. AN CCCP. CEP. XIM.,(1990) N, S. 2066-2069
  作者：ROGOVIK, V. M.、DELYAGINA, N. I.、MYSOV, E. I.、CHERSTKOV, V. F.、STERLIN, S.+

  DOI：——

  日期：——