[Pd(C6H4CH2NMe2)((S)-2-(diphenylphosphino)-2'-cyano-1,1'-binaphthyl)]B(C6H3(CF3)2)4 | 769949-31-7

• 英文名称: [Pd(C6H4CH2NMe2)((S)-2-(diphenylphosphino)-2'-cyano-1,1'-binaphthyl)]B(C6H3(CF3)2)4
• CAS: 769949-31-7
• 化学式: C₉H₁₂N*C₃₂H₁₂BF₂₄*C₃₃H₂₂NP*Pd
• 分子量: 1567.36
• InChiKey: VWXCLXUOKCTMOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.05
• 重原子数：
  103.0
• 可旋转键数：
  10.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  27.03
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  [PdCl(C6H4CH2NMe2)((S)-2-(diphenylphosphino)-2'-cyano-1,1'-binaphthyl)] 、 四(3,5-二(三氟甲基)苯基)硼酸钠 以 二氯甲烷 为溶剂， 以45%的产率得到[Pd(C6H4CH2NMe2)((S)-2-(diphenylphosphino)-2'-cyano-1,1'-binaphthyl)]B(C6H3(CF3)2)4
  参考文献：
  名称：

  Structural and ¹³C NMR Studies on Palladium MOP Compounds:  A New Weak C−Pd σ-Bond Plus MOP as a Bridging Diene Ligand

  摘要：

  A new set of Pd-MOP complexes (MOP = (S)-2-diarylphosphino-1,1'-binaphthyl) has been prepared. One of these, containing MeO-MOP (=2-(diphenylphosphino)-2'-methoxy-1,1'-binaphthyl), is shown to act as a chelating ligand with a naphthyl backbone diene bridging a Pd(I)-Pd(I) bond. This bonding mode exists in both the solid and solution states. A series of chloro-Pd(II)MOP complexes containing the well-known cyclometalated N V-dimethyl benzylamine chelate have been treated with NaBArF to extract the chloride ligand. The products, starting from the H-MOP, MeO-MOP, and NC-MOP analogues, are all different. Of particular interest is the product from the H-MOP reaction in that the fourth coordination position is occupied by a weak Pd-C sigma-bond from the naphthyl backbone, on the basis of C-13 NMR data. The rate of product formation in the Pd-catalyzed hydrosilylation of styrene with SiHCl3 has been measured as a function of time for the four auxiliaries H-MOP, MeO-MOP, HO-MOP, and NC-MOP. The NC-MOP is shown to be much faster than the others, and a tentative explanation is offered.

  DOI：

  10.1021/om0496535