[(κ2-P,O-phenacyldi-tert-butylphosphine)Pd(CH3)(η2-C2H4)][B((CF3)2C6H3)4] | 446033-24-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(κ2-P,O-phenacyldi-tert-butylphosphine)Pd(CH3)(η2-C2H4)][B((CF3)2C6H3)4]
• 英文别名: carbanide;2-ditert-butylphosphanyl-1-phenylethanone;ethene;palladium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
• CAS: 446033-24-5
• 化学式: C₁₉H₃₂OPPd*C₃₂H₁₂BF₂₄
• 分子量: 1277.08
• InChiKey: RPAVPLZQQKQSOP-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

• 作为产物：
  描述：

  乙烯 、 [Pd(methyl)(diethylether)(phenacyldi-tert-butylphosphine-P,O)][B(3,5-C6H3(CF3)2)4] 以 二氯甲烷 为溶剂， 生成 [(κ2-P,O-phenacyldi-tert-butylphosphine)Pd(CH3)(η2-C2H4)][B((CF3)2C6H3)4]
  参考文献：
  名称：

  Structural Characterization of [κ²-(t-Bu)₂PCH₂C(O)C₆H₅]PdMe(η²-C₂H₄)⁺BAr‘₄^-:  A Model for the Catalyst Resting State for Ethylene Polymerization

  摘要：

  The Pd methyl-ethylene complex (PO)Pd-Me(eta(2)-C2H4)+BAr'(-)(4) (PO) = phenacyldi-tert-butylphosphine; Ar' = 3,5-(CF3)(2)C6H3 has been isolated and structurally characterized by X-ray crystallography. The ethylene ligand is oriented perpendicular to the square plane and is cis to the methyl ligand. This compound closely models the resting state(s) for ethylene oligomerization/polymerization by such complexes.

  DOI：

  10.1021/om020951g