PhCH2(CF=CFCF3) | 102682-98-4

• 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: PhCH2(CF=CFCF3)
• CAS: 102682-98-4
• 化学式: C₁₀H₇F₅
• 分子量: 222.158
• InChiKey: PMHLIAZFUXCZJP-HJWRWDBZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.94
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  溴甲苯 、 全氟丙烯基铜 以 N,N-二甲基甲酰胺 为溶剂， 以56%的产率得到PhCH2(CF=CFCF3)
  参考文献：
  名称：

  Generation, spectroscopic detection, and chemical reactivity of fluorinated vinylcopper reagents

  摘要：

  DOI：

  10.1021/ja00274a066

文献信息

• Pentafluoropropenyl Complexes of Mercury, Germanium, Tin, and Lead Derived from (<i>Z</i>)-CFH═CFCF₃and Their Use as Transfer Reagents
  作者：Alan K. Brisdon、Robin G. Pritchard、Anthony Thomas

  DOI：10.1021/om2009843

  日期：2012.2.27

  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.