{[(4-CH3-C6H4)2PCH2CH2]2PPh}MoCl3 | 1615244-35-3

• 英文名称: {[(4-CH3-C6H4)2PCH2CH2]2PPh}MoCl3
• 英文别名: {[(4-CH₃-C₆H₄)₂PCH₂CH₂]₂PPh}MoCl₃
• CAS: 1615244-35-3
• 化学式: C₃₈H₄₁Cl₃MoP₃
• 分子量: 792.964
• InChiKey: HZCSHNGFYLQIIB-UHFFFAOYSA-K

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：

  乙烯 、 {[(4-CH3-C6H4)2PCH2CH2]2PPh}MoCl3 、 氮 在 sodium amalgam 作用下， 以 四氢呋喃 为溶剂， -196.0~20.0 ℃ 、101.33 kPa 条件下， 反应 16.0h， 以82%的产率得到trans-{[(4-CH3-C6H4)2PCH2CH2]2PPh}Mo(C2H4)(N2)2
  参考文献：
  名称：

  Ancillary Ligand Effects on Carbon Dioxide-Ethylene Coupling at Zerovalent Molybdenum

  摘要：

  A series of zerovalent molybdenum complexes bearing triphosphine ligands, [Ar2PCH2CH2](2)PPh, have been synthesized and evaluated for reductive functionalization of CO2 with ethylene. The ability to form dimeric triphosphine molybdenum(U) acrylate hydride species from CO2-ethylene coupling was found to be highly sensitive to steric encumbrance on the phosphine aryl substituents. Trapping of triphosphine molybdenum(II) acrylate hydride species using triphenylphosphine afforded isolable monomeric CO2 functionalization products with all ancillary ligands studied. Kinetic analysis of the acrylate formation reaction revealed a first-order dependence on molybdenum, but no influence from CO2 pressure or the triphenylphosphine trap. Systematic attenuation of steric and electronic features of the triphosphine ligands showed a strong CO2 functionalization rate influence for ligand size with [(3,5-Bu-t-C6H3)(2)PCH2CH2](2)PPh coupling nearly four times slower than with [(3,5-Me-C6H3)(2)PCH2CH2](2)PPh. A considerably milder electronic effect was observed with complexes bearing [(4-F-C6H4)(2)PCH2CH2](2)PPh reducing CO2 at approximately half the rate as with [Ph2PCH2CH2](2)PPh.

  DOI：

  10.1021/om500324h
• 作为产物：
  描述：

  trichlorotris(tetrahydrofuran)molybdenum(III) 、 Bis[2-bis(4-methylphenyl)phosphanylethyl]-phenylphosphane 以 四氢呋喃 为溶剂， 反应 16.0h， 以90%的产率得到{[(4-CH3-C6H4)2PCH2CH2]2PPh}MoCl3
  参考文献：
  名称：

  Ancillary Ligand Effects on Carbon Dioxide-Ethylene Coupling at Zerovalent Molybdenum

  摘要：

  A series of zerovalent molybdenum complexes bearing triphosphine ligands, [Ar2PCH2CH2](2)PPh, have been synthesized and evaluated for reductive functionalization of CO2 with ethylene. The ability to form dimeric triphosphine molybdenum(U) acrylate hydride species from CO2-ethylene coupling was found to be highly sensitive to steric encumbrance on the phosphine aryl substituents. Trapping of triphosphine molybdenum(II) acrylate hydride species using triphenylphosphine afforded isolable monomeric CO2 functionalization products with all ancillary ligands studied. Kinetic analysis of the acrylate formation reaction revealed a first-order dependence on molybdenum, but no influence from CO2 pressure or the triphenylphosphine trap. Systematic attenuation of steric and electronic features of the triphosphine ligands showed a strong CO2 functionalization rate influence for ligand size with [(3,5-Bu-t-C6H3)(2)PCH2CH2](2)PPh coupling nearly four times slower than with [(3,5-Me-C6H3)(2)PCH2CH2](2)PPh. A considerably milder electronic effect was observed with complexes bearing [(4-F-C6H4)(2)PCH2CH2](2)PPh reducing CO2 at approximately half the rate as with [Ph2PCH2CH2](2)PPh.

  DOI：

  10.1021/om500324h