fluorosulfuric acid 1,3,4,4,4-pentafluoro-2-oxo-1,3-bis-trifluoromethyl-butyl ester | 71917-19-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: fluorosulfuric acid 1,3,4,4,4-pentafluoro-2-oxo-1,3-bis-trifluoromethyl-butyl ester
• 英文别名: 1,1,1,2,4,5,5,5-octafluoro-2-fluorosulfonyloxy-3-oxo-4-(trifluoromethyl)pentane
• CAS: 71917-19-6
• 化学式: C₆F₁₂O₄S
• 分子量: 396.11
• InChiKey: GCUCINJXTFTWKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.85
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  60.44
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  fluorosulfuric acid 1,3,4,4,4-pentafluoro-2-oxo-1,3-bis-trifluoromethyl-butyl ester 在 二甲基硫 作用下， 以 二乙二醇二甲醚 为溶剂， 反应 48.0h， 以85%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：

  Fluoroaliphatic esters of fluorosulfonic acid. 4. Reactions of ?-fluorosulfatoperfluoro ketones with nucleophilic reagents

  摘要：

  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.

  DOI：

  10.1007/bf00958254
• 作为产物：
  描述：

  2,3-bi(fluorosulfato)perfluoro-4-methylpentane 在 cesium fluoride 作用下， 反应 8.33h， 生成 fluorosulfuric acid 1,3,4,4,4-pentafluoro-2-oxo-1,3-bis-trifluoromethyl-butyl ester
  参考文献：
  名称：

  Fluoroaliphatic esters of fluorosulfonic acid. 2. Reaction of bis(fluorosulfato)perfluoroalkanes with cesium fluoride

  摘要：

  2,3-Bis(fluorosulfato) perfluoroalkanes split under the action of CsF in the absence of solvents, giving a mixture of alpha-fluorosulfatoperfluoro ketones, perfluoroalkene sulfates, and perfluoro alpha-diketones. The occurrence of these reactions in solutions results mainly in the formation of oxides of the corresponding fluoroolefins or products of their conversions. The reactions carried out are the first examples of nucleophilic substitution at a secondary carbon atom in a perfluorinated saturated chain.

  DOI：

  10.1007/bf00958252

文献信息

• Interaction of perfluorinated α-fluorosulfatocarbonyl compounds with nucleophilic reagents
  作者：N.I. Delyagina、E.A. Avetisyan、V.M. Rogovik、V.F. Cherstkov、S.R. Sterlin、L.S. German

  DOI：10.1016/s0022-1139(00)80858-1

  日期：1993.12

  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.
• Zeifman, Yu. V.; Postovoi, S. A.; Vol'pin, I. M., Doklady Chemistry, 1989, vol. 307, # 6, p. 241 - 245
  作者：Zeifman, Yu. V.、Postovoi, S. A.、Vol'pin, I. M.、German, L. S.

  DOI：——

  日期：——
• Fluoroaliphatic esters of fluorosulfonic acid. 3. Decomposition of poly(fluorosulfato)perfluoroalkanes under the action of antimony pentafluoride
  作者：V. M. Rogovik、S. D. Chepik、N. I. Delyagina、E. I. Mysov、V. F. Cherstkov、S. R. Sterlin、L. S. German

  DOI：10.1007/bf00958253

  日期：1990.9

  Vicinal bis(fluorosulfato) perfluoroalkanes containing FSO3 groups in the middle of a fluorocarbon chain eliminate one or two molecules of sulfuryl fluoride under the action of SbF5, forming a mixture of isomeric alpha-fluorosulfato ketones and alpha-diketones.
• Fluoroaliphatic esters of fluorosulfonic acid. 1. Reactions of higher fluoroolefins with electrochemically generated peroxydisulfuryl difluoride
  作者：V. M. Rogovik、Ya. I. Koval'skii、N. I. Delyagina、E. I. Mysov、V. M. Gida、V. A. Grinberg、V. F. Cherstkov、S. R. Sterlin、L. S. German

  DOI：10.1007/bf00958251

  日期：1990.9

  The electrolysis of fluorosulfonic acid in the presence of perfluoro-2-alkenes in an electrolyzer without a diaphragm results in the formation of a mixture of products, whose composition is determined by both the anodic and cathodic processes.
• FILYAKOVA T. I.; ZAPEVALOV A. YA.; KOLENKO I. P.; POLISHCHUK V. R.; LURE +, IZV. AN CCCP CEP. XIM., 1979, HO 8, 1878-1879
  作者：FILYAKOVA T. I.、 ZAPEVALOV A. YA.、 KOLENKO I. P.、 POLISHCHUK V. R.、 LURE +

  DOI：——

  日期：——