CH3CH(OH)CF(CF3)CFHCF(CF3)2 | 25253-16-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代醇
• 英文名称: CH3CH(OH)CF(CF3)CFHCF(CF3)2
• 英文别名: 3,4,5,6,6,6-Hexafluoro-3,5-bis(trifluoromethyl)hexan-2-ol；3,4,5,6,6,6-hexafluoro-3,5-bis(trifluoromethyl)hexan-2-ol
• CAS: 25253-16-1
• 化学式: C₈H₆F₁₂O
• 分子量: 346.116
• InChiKey: PPRXWRKNPFZAPT-UHFFFAOYSA-N

物化性质

• 沸点：
  84-86 °C(Press: 80-81 Torr)
• 密度：
  1.541±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  (CF3)2CFCF[CH(OH)CH3]CFHCF3 、 六氟丙烯 、 CH3CH(OH)CF(CF3)CFHCF(CF3)2 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 6.0h， 生成 (CF3)2CFCF[CH(OCF2CFHCF3)CH3]CFHCF3 、 CH3CH(OCF2CFHCF3)CF(CF3)CFHCF(CF3)2
  参考文献：
  名称：

  WO2007/30314

  摘要：

  公开号：
• 作为产物：
  描述：

  乙醇 、 perfluoro-4-methyl-2-pentene 生成 CH3CH(OH)CF(CF3)CFHCF(CF3)2
  参考文献：
  名称：

  ESR spectra of spin-adducts of hydroxyalkyl radicals with perfluoro-4-methyl-2-pentene

  摘要：

  A study was carried out on the ESR spectra of the spin-adducts of hydroxyalkyl radicals with perfluoro-4-methyl-2-pentene (I) formed upon the photolysis of alcoholic solutions of this perfluoroolefin. The stable conformational positions of the substituents in the spin-adducts depend on the structure of the hydroxyalkyl radicals. The spin-adducts are annihilated as a consequence of hydrogen atom abstraction as indicated in a preparative experiment.

  DOI：

  10.1007/bf00958012

文献信息

• Radiochemical addition of alcohols to perfluoro-2-alkenes
  作者：M.A. Kurykin、L.S. German、L.I. Kartasheva、A.K. Pikaev

  DOI：10.1016/0022-1139(96)03405-7

  日期：1996.4

  Radical addition of aliphatic alcohols to internal perfluorinated olefins has been studied. The process occurs non-stereoselectively to give equimolar mixtures of diastereoisomers in all cases.

  已经研究了向内部全氟化烯烃中自由基加成脂肪族醇的方法。在所有情况下，该过程均非立体选择性地生成非对映异构体的等摩尔混合物。
• WO2007/30314
  申请人：——

  公开号：——

  公开（公告）日：——
• ESR spectra of spin-adducts of hydroxyalkyl radicals with perfluoro-4-methyl-2-pentene
  作者：B. L. Tumanskii、M. A. Kurykin、S. P. Solodovnikov、N. N. Bubnov、L. S. German

  DOI：10.1007/bf00958012

  日期：1991.3

  A study was carried out on the ESR spectra of the spin-adducts of hydroxyalkyl radicals with perfluoro-4-methyl-2-pentene (I) formed upon the photolysis of alcoholic solutions of this perfluoroolefin. The stable conformational positions of the substituents in the spin-adducts depend on the structure of the hydroxyalkyl radicals. The spin-adducts are annihilated as a consequence of hydrogen atom abstraction as indicated in a preparative experiment.