Perfluoro-4,5-bisfluorosulfonyloxy-2,6-dimethylheptane-3-one | 281206-28-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: Perfluoro-4,5-bisfluorosulfonyloxy-2,6-dimethylheptane-3-one
• CAS: 281206-28-8
• 化学式: C₉F₁₈O₇S₂
• 分子量: 626.198
• InChiKey: QBRUMAMFSIGGLD-UHFFFAOYSA-N

物化性质

• 沸点：
  307.8±42.0 °C(Predicted)
• 密度：
  1.912±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.01
• 重原子数：
  36.0
• 可旋转键数：
  8.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  103.81
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  Perfluoro-4,5-bisfluorosulfonyloxy-2,6-dimethylheptane-3-one 在 硫酸 、 sodium acetate 作用下， 反应 0.25h， 生成 Perfluorodiisopropyl α-triketone
  参考文献：
  名称：

  EPR studies of anion–radicals formed by reduction of perfluorinated α-triketones with some metals of groups I–III

  摘要：

  Reaction of alpha,beta-bis-fluorosulfatoketones i-C3F7(CFOSO2F)(2)C(O)R-F, (R-F=C2F5, i-C3F7) With AcONa/AcOH afforded perfluoro-alpha-triketones i-C3F7C(O)C(O)C(O)R-F (RF=C2F5, i-C3F7) Reduction of these triketones with metals (Li, Na, K, Mg, Cd, Zn, Tl) in THF was studied by EPR spectroscopy. Anion-radicals with unsymmetrical distribution of charge and spin densities are formed in one-electron reduction of the triketones. Unlike hydrocarbon cl-polyketones, perfluorinated triketones can undergo three-electron reduction to form paramagnetic allyl tisalkoxides. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-1139(99)00258-4
• 作为产物：
  描述：

  F-2,6-Dimethyl-3-heptene-5-one 在 sodium fluorosulfonate 、 氟磺酸 作用下， 以66%的产率得到Perfluoro-4,5-bisfluorosulfonyloxy-2,6-dimethylheptane-3-one
  参考文献：
  名称：

  EPR studies of anion–radicals formed by reduction of perfluorinated α-triketones with some metals of groups I–III

  摘要：

  Reaction of alpha,beta-bis-fluorosulfatoketones i-C3F7(CFOSO2F)(2)C(O)R-F, (R-F=C2F5, i-C3F7) With AcONa/AcOH afforded perfluoro-alpha-triketones i-C3F7C(O)C(O)C(O)R-F (RF=C2F5, i-C3F7) Reduction of these triketones with metals (Li, Na, K, Mg, Cd, Zn, Tl) in THF was studied by EPR spectroscopy. Anion-radicals with unsymmetrical distribution of charge and spin densities are formed in one-electron reduction of the triketones. Unlike hydrocarbon cl-polyketones, perfluorinated triketones can undergo three-electron reduction to form paramagnetic allyl tisalkoxides. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-1139(99)00258-4