2,4-diisopropoxy-1-(perfluorodecyl)benzene | 1296868-82-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,4-diisopropoxy-1-(perfluorodecyl)benzene
• 英文别名: 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Henicosafluorodecyl)-2,4-di(propan-2-yloxy)benzene；1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-2,4-di(propan-2-yloxy)benzene
• CAS: 1296868-82-0
• 化学式: C₂₂H₁₇F₂₁O₂
• 分子量: 712.342
• InChiKey: ZCGBRLUTOPOFMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  45
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  23

反应信息

• 作为产物：
  描述：

  1-碘全氟癸烷 、 1,3-二异丙氧基苯 在 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 反应 15.0h， 生成 2,4-diisopropoxy-1-(perfluorodecyl)benzene 、 1,3-diisopropoxy-5-(perfluorodecyl)benzene 、 1,3-diisopropoxy-2-(perfluorodecyl)benzene
  参考文献：
  名称：

  Palladium-Catalyzed C–H Perfluoroalkylation of Arenes

  摘要：

  A new Pd-catalyzed reaction for the coupling between perfluoroalkyl Iodides (RFI) and simple aromatic substrates is described. The perfluoroalkylated arene products are obtained In good to excellent yields in the presence of a phosphine-ligated Pd catalyst and Cs2CO3 as a base. The development, optimization, scope, and preliminary mechanistic studies of these transformations are reported.

  DOI：

  10.1021/ol200628n

文献信息

• Palladium-Catalyzed C–H Perfluoroalkylation of Arenes
  作者：Rebecca N. Loy、Melanie S. Sanford

  DOI：10.1021/ol200628n

  日期：2011.5.20

  A new Pd-catalyzed reaction for the coupling between perfluoroalkyl Iodides (RFI) and simple aromatic substrates is described. The perfluoroalkylated arene products are obtained In good to excellent yields in the presence of a phosphine-ligated Pd catalyst and Cs2CO3 as a base. The development, optimization, scope, and preliminary mechanistic studies of these transformations are reported.