1,2,3,4,5-Pentafluoro-6-(2,3,5,6-tetrafluoro-4-octylphenyl)benzene | 1562626-04-3

• 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: 1,2,3,4,5-Pentafluoro-6-(2,3,5,6-tetrafluoro-4-octylphenyl)benzene
• 英文别名: 1,2,3,4,5-pentafluoro-6-(2,3,5,6-tetrafluoro-4-octylphenyl)benzene
• CAS: 1562626-04-3
• 化学式: C₂₀H₁₇F₉
• 分子量: 428.341
• InChiKey: APPUXTBRNXDKOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  十氟联苯 、 正辛基镁溴盐 以 四氢呋喃 为溶剂， 反应 24.0h， 以57%的产率得到1,2,3,4,5-Pentafluoro-6-(2,3,5,6-tetrafluoro-4-octylphenyl)benzene
  参考文献：
  名称：

  Transition-Metal-Free Synthesis of Fluorinated Arenes from Perfluorinated Arenes Coupled with Grignard Reagents

  摘要：

  A simple method to obtain organofluorine compounds from perfluorinated arenes coupled with Grignard reagents in the absence of a transition-metal catalyst was reported. In particular, the perfluorinated arenes could react not only with aryl Grignard reagents but also with alkyl Grignard reagents in moderate to good yields.

  DOI：

  10.1021/om4011609

文献信息

• OCTAFLUOROBIPHENYLS
  申请人：MERCK PATENT GmbH

  公开号：EP0364548B1

  公开（公告）日：1993-06-09
• Transition-Metal-Free Synthesis of Fluorinated Arenes from Perfluorinated Arenes Coupled with Grignard Reagents
  作者：Yunqiang Sun、Hongjian Sun、Jiong Jia、Aiqin Du、Xiaoyan Li

  DOI：10.1021/om4011609

  日期：2014.2.24

  A simple method to obtain organofluorine compounds from perfluorinated arenes coupled with Grignard reagents in the absence of a transition-metal catalyst was reported. In particular, the perfluorinated arenes could react not only with aryl Grignard reagents but also with alkyl Grignard reagents in moderate to good yields.