3'-trifluoromethyl-4-methoxy-2,3,5,6-tetrafluoro-1,1'-biphenyl | 1256352-50-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3'-trifluoromethyl-4-methoxy-2,3,5,6-tetrafluoro-1,1'-biphenyl
• 英文别名: 1,2,4,5-Tetrafluoro-3-methoxy-6-[3-(trifluoromethyl)phenyl]benzene；1,2,4,5-tetrafluoro-3-methoxy-6-[3-(trifluoromethyl)phenyl]benzene
• CAS: 1256352-50-7
• 化学式: C₁₄H₇F₇O
• 分子量: 324.198
• InChiKey: CSHCOINQIHTJMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  三氟甲苯 、 2,3,5,6-四氟茴香醚 在 copper diacetate 、 palladium diacetate 、 sodium carbonate 、 三甲基乙酸 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 24.0h， 生成 4'-trifluoromethyl-4-methoxy-2,3,5,6-tetrafluoro-1,1'-biphenyl 、 3'-trifluoromethyl-4-methoxy-2,3,5,6-tetrafluoro-1,1'-biphenyl
  参考文献：
  名称：

  Pd(OAc)₂-Catalyzed Oxidative C−H/C−H Cross-Coupling of Electron-Deficient Polyfluoroarenes with Simple Arenes

  摘要：

  Pd(OAc)(2)-catalyzed intermolecular C-H/C-H cross-coupling reactions between electron-deficient polyfluoroarenes and simple arenes for the synthesis of fluorinated biaryls have been developed. Deuterium-labeling experiments suggested that C-H bond cleavage of the simple arenes rather than the polyfluoroarenes is involved in the rate-limiting step.

  DOI：

  10.1021/ja109383e

文献信息

• Pd(OAc)₂-Catalyzed Oxidative C−H/C−H Cross-Coupling of Electron-Deficient Polyfluoroarenes with Simple Arenes
  作者：Ye Wei、Weiping Su

  DOI：10.1021/ja109383e

  日期：2010.11.24

  Pd(OAc)(2)-catalyzed intermolecular C-H/C-H cross-coupling reactions between electron-deficient polyfluoroarenes and simple arenes for the synthesis of fluorinated biaryls have been developed. Deuterium-labeling experiments suggested that C-H bond cleavage of the simple arenes rather than the polyfluoroarenes is involved in the rate-limiting step.