1,2,4-三氟-3-(2,3,6-三氟苯基)苯 | 5008-19-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,2,4-三氟-3-(2,3,6-三氟苯基)苯
• 英文名称: 2,2',5,5',6,6'-hexafluorobiphenyl
• 英文别名: 2,2',3,3',6,6'-Hexafluor-biphenyl；2,2',3,3',6,6'-Hexafluoro-1,1'-biphenyl；1,2,4-trifluoro-3-(2,3,6-trifluorophenyl)benzene
• CAS: 5008-19-5
• 化学式: C₁₂H₄F₆
• 分子量: 262.154
• InChiKey: ZAZMCLHDRCNTLK-UHFFFAOYSA-N

物化性质

• 沸点：
  227.2±35.0 °C(Predicted)
• 密度：
  1.456±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2903999090

反应信息

• 作为反应物：
  描述：

  1,2,4-三氟-3-(2,3,6-三氟苯基)苯 生成 3,4,3',4'-tetrabromo-hexafluorobiphenyl
  参考文献：
  名称：

  The Oxidation-Reduction Reaction of Hydrazinofluoro Aromatic Compounds. II.¹ 4,4'-Dihydrazinooctafluorobiphenyl, a Route to Tetrasubstituted Hexafluorobiphenyls

  摘要：

  DOI：

  10.1021/jo01339a062
• 作为产物：
  描述：

  十氟联苯 在 sodium ethanolate 、 肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 1,2,4-三氟-3-(2,3,6-三氟苯基)苯
  参考文献：
  名称：

  The Oxidation-Reduction Reaction of Hydrazinofluoro Aromatic Compounds. II.¹ 4,4'-Dihydrazinooctafluorobiphenyl, a Route to Tetrasubstituted Hexafluorobiphenyls

  摘要：

  DOI：

  10.1021/jo01339a062

文献信息

• Nickel, Manganese, Cobalt, and Iron-Catalyzed Deprotonative Arene Dimerization
  作者：Thanh Truong、Joseph Alvarado、Ly Dieu Tran、Olafs Daugulis

  DOI：10.1021/ol902970z

  日期：2010.3.19

  A number of first-row transition metal salts catalyze deprotonative dimerization of acidic arenes. Under the atmosphere of oxygen, nickel, manganese, cobalt, and Iron chlorides have been shown to dimerize five- and six-membered ring heterocycles as well as electron-poor arenes. Both tetramethylpiperidide and dicyclohexylamide bases can be employed; however, the former afford slightly higher yields.
• Rhodium Catalyzed, Carbon–Hydrogen Bond Directed Hydrodefluorination of Fluoroarenes
  作者：Olga Ekkert、Sebastian D. A. Strudley、Alisa Rozenfeld、Andrew J. P. White、Mark R. Crimmin

  DOI：10.1021/om501113j

  日期：2014.12.22

  [Cp*RhCl(mu-Cl)](2) is reported as a highly efficient and selective precatalyst for the hydrodefluorination of perfluoroarenes using a hydrocarbon-soluble aluminum dihydride as the terminal reductant. Reactions are directed to cleave a C-F bond adjacent to an existing C-H bond with high regioselectivity (98.5-99%). A heterobimetallic complex containing an extremely rare Al-H-Rh functional group has been isolated and shown to be catalytically competent.