1,1,1,2,2,5,5,5-octafluoro-4-fluorosulfonyloxy-3-oxo-4-(trifluoromethyl)pentane | 132182-84-4

• 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: 1,1,1,2,2,5,5,5-octafluoro-4-fluorosulfonyloxy-3-oxo-4-(trifluoromethyl)pentane
• CAS: 132182-84-4
• 化学式: C₆F₁₂O₄S
• 分子量: 396.11
• InChiKey: HXUGMOSDHQSWAE-UHFFFAOYSA-N

物化性质

• 沸点：
  112-113 °C
• 密度：
  1.819±0.06 g/cm3(Predicted)

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：

  1,1,1,2,2,5,5,5-octafluoro-4-fluorosulfonyloxy-3-oxo-4-(trifluoromethyl)pentane 、 氟化铯 生成 4-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5,5-bis(trifluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide
  参考文献：
  名称：

  ROGOVIK, V. M.;DELYAGINA, N. I.;MYSOV, E. I.;CHERSTKOV, V. F.;STERLIN, S.+, IZV. AN CCCP. CEP. XIM.,(1990) N, S. 2057-2063

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-bis(fluorosulfato)perfluoro-(2-methylpentane) 在 cesium fluoride 作用下， 反应 1.5h， 以53%的产率得到4-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-5,5-bis(trifluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide
  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

• 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.
• ROGOVIK, V. M.;CHEPIK, S. D.;DELYAGINA, N. I.;MYSOV, E. I.;CHERSTKOV, V. +, IZV. AN CCCP. CEP. XIM.,(1990) N, S. 2063-2065
  作者：ROGOVIK, V. M.、CHEPIK, S. D.、DELYAGINA, N. I.、MYSOV, E. I.、CHERSTKOV, V. +

  DOI：——

  日期：——
• ROGOVIK, V. M.;KOVALSKIJ, YA. I.;DELYAGINA, N. I.;MYSOV, E. I.;GIDA, V. M+, IZV. AN CCCP. CEP. XIM.,(1990) N, S. 2048-2056
  作者：ROGOVIK, V. M.、KOVALSKIJ, YA. I.、DELYAGINA, N. I.、MYSOV, E. I.、GIDA, V. M+

  DOI：——

  日期：——