3,4,5,6,6,6-Hexafluoro-2-methyl-3,5-bis-trifluoromethyl-hexan-2-ol | 25059-83-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,4,5,6,6,6-Hexafluoro-2-methyl-3,5-bis-trifluoromethyl-hexan-2-ol
• 英文别名: 3,4,5,6,6,6-Hexafluoro-2-methyl-3,5-bis(trifluoromethyl)hexan-2-ol；3,4,5,6,6,6-hexafluoro-2-methyl-3,5-bis(trifluoromethyl)hexan-2-ol
• CAS: 25059-83-0
• 化学式: C₉H₈F₁₂O
• 分子量: 360.143
• InChiKey: PWBVSJNXWCDPSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  22
• 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

• 作为产物：
  描述：

  perfluoro-4-methyl-2-pentene 、 异丙醇 生成 3,4,5,6,6,6-Hexafluoro-2-methyl-3,5-bis-trifluoromethyl-hexan-2-ol
  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。
• Promising prospects for using partially fluorinated alcohols as O-nucleophilic reagents in organofluoric synthesis
  作者：A. A. Il’in、A. N. Il’in、Yu. L. Bakhmutov、G. G. Furin、L. M. Pokrovskii

  DOI：10.1134/s1070427207030123

  日期：2007.3

  Perfluoroolefins react with isopropyl alcohol under the conditions of radical initiation to form partially fluorinated aliphatic alcohols. The reactions of these alcohols with hexafluoropropylene and compounds containing labile halogen atoms (in particular, with allyl bromide and epichlorohydrin) were studied.
• 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.