[Pd(η²-2′,3′,4',5′,6′-pentafluorostilbazole)(PEt₃)₂] | 1435091-01-2

• 英文名称: [Pd(η²-2′,3′,4',5′,6′-pentafluorostilbazole)(PEt₃)₂]
• CAS: 1435091-01-2
• 化学式: C₂₅H₃₆F₅NP₂Pd
• 分子量: 613.927
• InChiKey: XZHYQVZQTXZNKA-YOTINIEPSA-N

反应信息

• 作为产物：
  描述：

  Pd(PEt₃)₄ 、 2′,3′,4',5′,6′-pentafluorostilbazole 以 四氢呋喃 为溶剂， 反应 0.08h， 以95%的产率得到[Pd(η²-2′,3′,4',5′,6′-pentafluorostilbazole)(PEt₃)₂]
  参考文献：
  名称：

  A Phosphine-Accelerated Ar_F–Chloride Bond Activation Process by Palladium

  摘要：

  We present a mechanistic study demonstrating selective Ar-f-Cl bond activation preceded by eta(2) coordination of Pd(PEt3)(2) to a C=C moiety of a partially fluorinated substrate. An intramolecular ring-walking process to activate the Ar-f-Cl bond is plausible, but an intermolecular reaction becomes dominant in the presence of PEt3. The latter pathway is significantly enhanced, since PEt3 promotes dissociation of Pd(PEt3)(3) from the C=C moiety followed by activation of the Ar-f-Cl bond. Our observations also show that PEt3 can be used to control reaction selectivity. The experimental observations are supported by density functional theory (DFT) calculations (at the SMD(toluene)-DSD-PBEP86/cc-pV(D+d)Z-PP//DF-PBE +d(v2)/SDD(d) level of theory).

  DOI：

  10.1021/om400295p