(CF3CF=CFC6H4OCH2)2 | 1353886-80-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (CF3CF=CFC6H4OCH2)2
• CAS: 1353886-80-2
• 化学式: C₂₀H₁₂F₁₀O₂
• 分子量: 474.298
• InChiKey: QJBMWEZYWAZXPX-IQRFGFHNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.48
• 重原子数：
  32.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  (pentafluoropropenyl)tri-n-butyltin 、 1,2-bis(4-iodophenoxy)ethane 在 copper(l) iodide 、 四(三苯基膦)钯 作用下， 以 四氢呋喃 为溶剂， 以52%的产率得到(CF3CF=CFC6H4OCH2)2
  参考文献：
  名称：

  Pentafluoropropenyl Complexes of Mercury, Germanium, Tin, and Lead Derived from (Z)-CFH═CFCF₃and Their Use as Transfer Reagents

  摘要：

  A series of new (E)-pentafluoropropenyl complexes of Hg, Ge, Sn, and Pb are reported derived from CFH=CFCF3 ((Z)-HFC-1225ye). Unequivocal assignment of the geometry of the products was achieved via a multinuclear (H-1, C-13, F-19, Sn-119, and Hg-199) NMR study. These conclusions are confirmed in the single-crystal X-ray structures of Ph3Ge(CF=CFCF3) and Ph3Sn(CF=CFCF3). In the solid-state structures of both molecules, short contacts are observed between one of the fluorine atoms of the CF3 group and the metal center. The Bu3Sn(CF=CFCF3) compound acts as an effective source of the pentafluoropropenyl group in a series of palladium-catalyzed Stille-Liebeskind reactions to generate new aryl-pentafluoropropenyl systems.

  DOI：

  10.1021/om2009843