[Pd(Me)(1,1'-bis(diisopropylphosphino)ferrocene)(NCMe)][B(3,5-bis(trifluoromethyl)phenyl)4] | 849062-65-3

• 英文名称: [Pd(Me)(1,1'-bis(diisopropylphosphino)ferrocene)(NCMe)][B(3,5-bis(trifluoromethyl)phenyl)4]
• 英文别名: [Pd(Me)(dippf)(NCMe)][B(3,5-bis(trifluoromethyl)phenyl)4]
• CAS: 849062-65-3
• 化学式: C₂₅H₄₂FeNP₂Pd*C₃₂H₁₂BF₂₄
• 分子量: 1444.05
• InChiKey: WEFLYDLQGSNVLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  氘代甲醇 、 [Pd(Me)(1,1'-bis(diisopropylphosphino)ferrocene)(NCMe)][B(3,5-bis(trifluoromethyl)phenyl)4] 、 一氧化碳 以 二氯甲烷-D2 为溶剂， 生成 [Pd2(μ-(2)H)(μ-CO)(dippf)2][3,5-bis(trifluoromethyl)phenyl]
  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：

  [(1,1'-bis(di-iso-propylphosphino)ferrocene)PdCH3]Cl 、 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)(1,1'-bis(diisopropylphosphino)ferrocene)(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