1,2,4,5-tetrafluoro-3-(4-fluorophenoxy)benzene | 1420298-59-4

• 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: 1,2,4,5-tetrafluoro-3-(4-fluorophenoxy)benzene
• 英文别名: 1-(4-fluorophenoxy)-2,3,5,6-tetrafluorobenzene；1,2,4,5-Tetrafluoro-3-(4-fluorophenoxy)benzene
• CAS: 1420298-59-4
• 化学式: C₁₂H₅F₅O
• 分子量: 260.163
• InChiKey: GEFDNJAFYQOVFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-氟苯酚 、 五氟苯 在 palladium diacetate 、 potassium carbonate 、 silver nitrate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以57%的产率得到1,2,4,5-tetrafluoro-3-(4-fluorophenoxy)benzene
  参考文献：
  名称：

  Synthesis of polyfluorinated aryl ethers via ligand-free palladium-catalyzed CF activation of pentafluorobenzene

  摘要：

  An efficient, ligand-free palladium-catalyzed method for the cross coupling reaction of pentafluor-benzene with phenols was developed. This reaction proceeds via a highly selective C-F bond activation in the 3-position and is compatible with a variety of functional groups, delivering polyfluorinated aryl ethers in moderate to excellent yields. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2013.02.025

文献信息

• Synthesis of polyfluorinated aryl ethers via ligand-free palladium-catalyzed CF activation of pentafluorobenzene
  作者：Lanbao Sun、Mingguang Rong、Dedao Kong、Zhengshuai Bai、Yaofeng Yuan、Zhiqiang Weng

  DOI：10.1016/j.jfluchem.2013.02.025

  日期：2013.6

  An efficient, ligand-free palladium-catalyzed method for the cross coupling reaction of pentafluor-benzene with phenols was developed. This reaction proceeds via a highly selective C-F bond activation in the 3-position and is compatible with a variety of functional groups, delivering polyfluorinated aryl ethers in moderate to excellent yields. (C) 2013 Elsevier B.V. All rights reserved.
• Nucleophilic aryloxydefluorination of pentafluorobenzene without noble metal catalysis
  作者：Nicolay Yu. Adonin、Vadim V. Bardin

  DOI：10.1016/j.jfluchem.2013.05.016

  日期：2013.9

  1-Phenoxy-2,3,5,6-tetrafluorobenzene and 1-(4'-fluorophenoxy)-2,3,5,6-tetrafluorobenzene were prepared in a quantitative yield from C6F5H, ArOH and K2CO3 (DMF or DMSO, 120 degrees C, 9-11 h). The catalytic effect of Pd(OAc)(2) in the presence of AgNO3 as claimed in Ref. [1] was not confirmed. (C) 2013 Elsevier B.V. All rights reserved.