[(N[2-P(CHMe2)2-4-methylphenyl]2)Sc(μ2-P-2,6-Mes2C6H3)(μ2-Br)Li] | 1219114-92-7

• 英文名称: [(N[2-P(CHMe2)2-4-methylphenyl]2)Sc(μ2-P-2,6-Mes2C6H3)(μ2-Br)Li]
• 英文别名: [(N[2-P(CHMe2)2-4-methylphenyl]2)Sc(μ2-P[DMP])(μ2-Br)Li]
• CAS: 1219114-92-7；1219114-96-1
• 化学式: C₅₀H₆₅BrLiNP₃Sc
• 分子量: 904.795
• InChiKey: XKURYNYXSBXGOK-UHFFFAOYSA-M

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：

  [(N[2-P(CHMe2)2-4-methylphenyl]2)Sc(μ2-P-2,6-Mes2C6H3)(μ2-Br)Li] 、 2,4,6-tri-t-butylphenylphosphonous dichloride 以 not given 为溶剂， 生成 (bis(2-diisopropylphosphino-4-tolyl)amide)Sc(Cl2)
  参考文献：
  名称：

  Phosphinidene Complexes of Scandium: Powerful PAr Group-Transfer Vehicles to Organic and Inorganic Substrates

  摘要：

  The first phosphinidene complexes of scandium are reported in this contribution. When complex (PNP)Sc(CH3)Br (1) is treated with 1 equiv of LiPH[Trip] (Trip = 2,4,6-(Pr3C6H2)-Pr-i), the dinuclear scandium phosphinidene complex [(PNP)Sc(mu(2)-P[Trip])](2) (2) is obtained. However, treating 1 with a bulkier primary phosphide produces the mononuclear scandium ate complex [(PNP)Sc(mu(2)-P[DMP](mu(2)-Br)Li] (3) (DMP = 2,6-Mes(2)C(6)H(3)). The Li cation in 3 can be partially encapsulated with DME to furnish a phosphinidene salt derivative, (PNP)Sc(mu(2)-P[DMP])(mu(2)-Br)Li(DME)] (4). We also demonstrate that complex 3 can readily deliver the phosphinidene ligand to organic substrates such as OCPh2 and Cl(2)PMes* as well as inorganic fragments such as Cp2ZrCl2, Cp*2TiCl2, and Cp2TiCl2 in the presence of P(CH3)(3). Complexes 2-4 have been fully characterized, including single crystal X-ray diffraction and DFT Studies.

  DOI：

  10.1021/ja100214e
• 作为产物：
  描述：

  (bis(2-diisopropylphosphino-4-tolyl)amide)Sc(CH3)Br 、 LiPH[DMP] 以 not given 为溶剂， 以70%的产率得到[(N[2-P(CHMe2)2-4-methylphenyl]2)Sc(μ2-P-2,6-Mes2C6H3)(μ2-Br)Li]
  参考文献：
  名称：

  Phosphinidene Complexes of Scandium: Powerful PAr Group-Transfer Vehicles to Organic and Inorganic Substrates

  摘要：

  The first phosphinidene complexes of scandium are reported in this contribution. When complex (PNP)Sc(CH3)Br (1) is treated with 1 equiv of LiPH[Trip] (Trip = 2,4,6-(Pr3C6H2)-Pr-i), the dinuclear scandium phosphinidene complex [(PNP)Sc(mu(2)-P[Trip])](2) (2) is obtained. However, treating 1 with a bulkier primary phosphide produces the mononuclear scandium ate complex [(PNP)Sc(mu(2)-P[DMP](mu(2)-Br)Li] (3) (DMP = 2,6-Mes(2)C(6)H(3)). The Li cation in 3 can be partially encapsulated with DME to furnish a phosphinidene salt derivative, (PNP)Sc(mu(2)-P[DMP])(mu(2)-Br)Li(DME)] (4). We also demonstrate that complex 3 can readily deliver the phosphinidene ligand to organic substrates such as OCPh2 and Cl(2)PMes* as well as inorganic fragments such as Cp2ZrCl2, Cp*2TiCl2, and Cp2TiCl2 in the presence of P(CH3)(3). Complexes 2-4 have been fully characterized, including single crystal X-ray diffraction and DFT Studies.

  DOI：

  10.1021/ja100214e