[PdCl(Me)(dmpf)] | 849062-60-8

• 英文名称: [PdCl(Me)(dmpf)]
• 英文别名: [PdCl(Me)(1,1'-bis(dimethylphosphino)ferrocene)]
• CAS: 849062-60-8
• 化学式: C₁₅H₂₃ClFeP₂Pd
• 分子量: 463.015
• InChiKey: WXVPSORWYDXDQU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [PdCl(Me)(dmpf)] 、 四(3,5-二(三氟甲基)苯基)硼酸钠 、 乙腈 以 二氯甲烷 为溶剂， 生成 [Pd(Me)(dmpf)(NCMe)][B(3,5-bis(trifluoromethyl)phenyl)4]
  参考文献：
  名称：

  Ethylene Carbonylation in Methanol and in Aqueous Media by Palladium(II) Catalysts Modified with 1,1‘-Bis(dialkylphosphino)ferrocenes

  摘要：

  Palladium(II) complexes with the formula [Pd(H2O)(OTs)(P-P)]OTs, where P-P is 1,1'-bis-(dimethylphosphino)ferrocene (dmpf), 1,1'-bis(diethylphosphino)ferrocene (depf), or 1,1'-bis-(diisopropylphosphino)ferrocene (dippf), have been synthesized and used to catalyze the carbonylation of ethylene in MeOH, water, or a 1/1 water/1,4-dioxane mixture. In MeOH, the reactions catalyzed by the dmpf and depf complexes gave alternating polyketone (alt-E-CO), while methyl propanoate and 3-pentanone were selectively produced with the dippf catalyst. The last catalyst was inactive in aqueous solvent. In contrast, the dmpf and depf catalysts were active in either water or water/1,4-dioxane for the copolymerization of CO with ethylene. These two catalysts were efficient also for the terpolymerization of CO with ethylene and propene in MeOH or water/1,4-dioxane. Operando high-pressure NMR experiments and in situ reactions with model compounds have provided useful information to rationalize the activity and selectivity of the catalytic systems investigated.

  DOI：

  10.1021/om049109w
• 作为产物：
  描述：

  chloromethyl(1,5-cyclooctadiene)palladium(II) 、 1,1'-bis(dimethylphosphino)ferrocene 以 苯 为溶剂， 以85%的产率得到[PdCl(Me)(dmpf)]
  参考文献：
  名称：

  Ethylene Carbonylation in Methanol and in Aqueous Media by Palladium(II) Catalysts Modified with 1,1‘-Bis(dialkylphosphino)ferrocenes

  摘要：

  Palladium(II) complexes with the formula [Pd(H2O)(OTs)(P-P)]OTs, where P-P is 1,1'-bis-(dimethylphosphino)ferrocene (dmpf), 1,1'-bis(diethylphosphino)ferrocene (depf), or 1,1'-bis-(diisopropylphosphino)ferrocene (dippf), have been synthesized and used to catalyze the carbonylation of ethylene in MeOH, water, or a 1/1 water/1,4-dioxane mixture. In MeOH, the reactions catalyzed by the dmpf and depf complexes gave alternating polyketone (alt-E-CO), while methyl propanoate and 3-pentanone were selectively produced with the dippf catalyst. The last catalyst was inactive in aqueous solvent. In contrast, the dmpf and depf catalysts were active in either water or water/1,4-dioxane for the copolymerization of CO with ethylene. These two catalysts were efficient also for the terpolymerization of CO with ethylene and propene in MeOH or water/1,4-dioxane. Operando high-pressure NMR experiments and in situ reactions with model compounds have provided useful information to rationalize the activity and selectivity of the catalytic systems investigated.

  DOI：

  10.1021/om049109w