[PdCl2(R)-(QUINAP)] | 157377-89-4

• 英文名称: [PdCl2(R)-(QUINAP)]
• CAS: 157377-89-4
• 化学式: C₃₁H₂₂Cl₂NPPd
• 分子量: 616.822
• InChiKey: UUUXVSUIOHZJBS-UHFFFAOYSA-L

反应信息

• 作为反应物：
  描述：

  碘苯 、 [PdCl2(R)-(QUINAP)] 在 Super Hydride 、 1,5-cyclooctadiene 作用下， 以 四氢呋喃 为溶剂， 以35%的产率得到[Pd(I)(Ph)(R)-(QUINAP)]
  参考文献：
  名称：

  The Intermolecular AsymmetricHeck Reaction: Mechanistic and Computational Studies

  摘要：

  Reactive intermediates in the asymmetric Heck reaction between aryl electrophiles and 2,3-dihydrofuran have been identified by NMR and mass spectrometry, with BINAP or the achiral diphosphanes dppp and dppf as ligands. The major cationic species observed is an alkylpalladium produced by addition of PdAr to the alkene followed by two further PdH-mediated isomerisation steps. This last species has been characterised at -60 degrees by H-1-, C-13-, and P-31-NMR, including HMQC techniques. The regiochemistry of PdAr and PdH addition to the reactant are opposite as defined by the reaction with (2-H-2(1))-2,3-dihydrofuran. DFT Calculations on the reaction pathway between [CH2(PH2)]PdPh+ and 2,3-dihydrofuran reveal several structurally interesting intermediates involving agostic beta -atom, ipso-Ph or reactant O-atom bonded to the Pd-atom, and elucidate the isomerisation pathway.

  DOI：

  10.1002/1522-2675(20011017)84:10<3043::aid-hlca3043>3.0.co;2-v