[κ2,η2-CH2(C6H2Me2O)2]W(PMe3)3H2 | 945264-50-6

• 英文名称: [κ2,η2-CH2(C6H2Me2O)2]W(PMe3)3H2
• CAS: 945264-50-6
• 化学式: C₂₆H₄₇O₂P₃W
• 分子量: 668.429
• InChiKey: PGUWEOGLPIKSMS-UHFFFAOYSA-L

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：

  [κ2,η2-CH2(C6H2Me2O)2]W(PMe3)3H2 以 not given 为溶剂， 生成 [κ3-CH(C6H2Me2O)2]W(PMe3)3H3
  参考文献：
  名称：

  Factors Influencing Coordination versus Oxidative Addition of C−H Bonds to Molybdenum and Tungsten:  Structural and Spectroscopic Evidence That the Calixarene Framework Promotes C−H Bond Activation

  摘要：

  Mo(PMe3)(6) and W(PMe3)(4)(eta(2)-CH2PMe2)H react with the diphenol CH2((ArOH)-O-Me2)(2) (Ar-Me2 = C6H2Me2) to yield [kappa(2),eta(2)-CH2((ArO)-O-Me2)(2)]M(PMe3)(3)H-2 (M = Mo, W), which possess agostic M-H-C interactions. NMR spectroscopic studies provide evidence that the tungsten compound is in facile equilibrium with the metalated trihydride [kappa(3)-CH((ArO)-O-Me2)(2)]W(PMe3)(3)H-3.

  DOI：

  10.1021/om700279c
• 作为产物：
  描述：

  (tungsten)(triphenylphosphane)4(hydride)(P(CH3)2CH2) 、 6,6'-亚甲基二-2,4-二甲苯酚 以 not given 为溶剂， 生成 [κ2,η2-CH2(C6H2Me2O)2]W(PMe3)3H2
  参考文献：
  名称：

  Factors Influencing Coordination versus Oxidative Addition of C−H Bonds to Molybdenum and Tungsten:  Structural and Spectroscopic Evidence That the Calixarene Framework Promotes C−H Bond Activation

  摘要：

  Mo(PMe3)(6) and W(PMe3)(4)(eta(2)-CH2PMe2)H react with the diphenol CH2((ArOH)-O-Me2)(2) (Ar-Me2 = C6H2Me2) to yield [kappa(2),eta(2)-CH2((ArO)-O-Me2)(2)]M(PMe3)(3)H-2 (M = Mo, W), which possess agostic M-H-C interactions. NMR spectroscopic studies provide evidence that the tungsten compound is in facile equilibrium with the metalated trihydride [kappa(3)-CH((ArO)-O-Me2)(2)]W(PMe3)(3)H-3.

  DOI：

  10.1021/om700279c