1,1,1,2,2,4-hexafluorobutane | 161791-33-9

• 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: 1,1,1,2,2,4-hexafluorobutane
• CAS: 161791-33-9
• 化学式: C₄H₄F₆
• 分子量: 166.066
• InChiKey: KSUHRWWSNHJRMY-UHFFFAOYSA-N

物化性质

• 沸点：
  36.8±8.0 °C(Predicted)
• 密度：
  1.304±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  四氟乙烯 、 1,1-二氟乙烷 在 五氟化锑 作用下， 反应 10.0h， 生成 1,1,1,2,2,4-hexafluorobutane 、 hexafluorobutane
  参考文献：
  名称：

  Electrophilic, catalytic alkylation of polyfluoroolefins by some fluoroalkanes

  摘要：

  New data are presented on the antimony pentafluoride catalyzed reaction of hydrofluorocarbons such as CH3F, CH2F2, CH3CHF2 and RfCH2CH2F with fluoroolefins. The condensation of CH2F2 and fluoroolefins CF2=CFX (X = F, CF3) proceeds under mild conditions producing the corresponding propanes FCH2CFXCF3, in moderate to high yield. Under similar conditions methyl fluoride reacts with tetrafluoroethylene giving CH3CF2CF3. However, a complex mixture of products forms in the analogous reaction with hexafluoropropene. The structures of the products of the reactions of CH3CHF2 and tetrafluoroethylene: and F-butylethylene were determined. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(00)00408-5

文献信息

• Preparation, fluorination and synthetic utility of a CFC-olefin adduct
  作者：Michael Van Der Puy、Timothy R. Demmin、G.V. Bindu Madhavan、Alagappan Thenappan、Harry S. Tung

  DOI：10.1016/0022-1139(95)03326-2

  日期：1996.1

  1,1,1 -Trichlorotrifluoroethane was added to ethylene using the catalyst system Fe/triethylphosphite, which eliminated the need for a solvent and avoided the corrosion problems inherent in CuCl-catalyzed reactions. The adduct, CF3CCl2CH2CH2Cl, was fluorinated with HF over a chromium(III) oxide catalyst. A series of alternating dehydrochlorinations and HF additions to internal C=C double bonds was proposed

  使用催化剂体系Fe /亚磷酸三乙酯将1,1,1-三氯三氟乙烷添加到乙烯中，从而消除了对溶剂的需求，并避免了CuCl催化反应固有的腐蚀问题。加合物CF 3 CCl 2 CH 2 CH 2 Cl在氧化铬（III）催化剂上用HF氟化。提出了一系列交替的脱氯化氢和向内部C = C双键添加HF的方法，并通过热力学计算来支持，以解释CF 3 CF 2 CH = CH 2作为主要氟化产物的形成。中间体CF 3 CCl = CHCH 2通过在不存在HF的情况下将加合物进行脱氯化氢而干净形成的Cl被转化为4,4,4-三氟丁醇和CF 3 CCl = CHCH 2 X类型的其他化合物（X = OAc，OH，Br，I，H ）。
• Electrophilic, catalytic alkylation of polyfluoroolefins by some fluoroalkanes
  作者：G.G. Belen’kii、V.A. Petrov、P.R. Resnick

  DOI：10.1016/s0022-1139(00)00408-5

  日期：2001.3

  New data are presented on the antimony pentafluoride catalyzed reaction of hydrofluorocarbons such as CH3F, CH2F2, CH3CHF2 and RfCH2CH2F with fluoroolefins. The condensation of CH2F2 and fluoroolefins CF2=CFX (X = F, CF3) proceeds under mild conditions producing the corresponding propanes FCH2CFXCF3, in moderate to high yield. Under similar conditions methyl fluoride reacts with tetrafluoroethylene giving CH3CF2CF3. However, a complex mixture of products forms in the analogous reaction with hexafluoropropene. The structures of the products of the reactions of CH3CHF2 and tetrafluoroethylene: and F-butylethylene were determined. (C) 2001 Elsevier Science B.V. All rights reserved.