[κ3-2,6-di-p-tolylphenyl]Ta(PMe3)2MeCl | 1356933-98-6

• 英文名称: [κ3-2,6-di-p-tolylphenyl]Ta(PMe3)2MeCl
• CAS: 1356933-98-6
• 化学式: C₂₇H₃₆ClP₂Ta
• 分子量: 638.931
• InChiKey: BEBMOQRYZUKMAL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  [κ3-2,6-di-p-tolylphenyl]Ta(PMe3)2MeCl 、 zinc(II) chloride 、 三甲基膦 以 乙醚 、 氘代苯 为溶剂， 以42%的产率得到[κ3-2,6-di-p-tolylphenyl]Ta(PMe3)2Cl2
  参考文献：
  名称：

  A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X₃-Donor Array Derived from a Terphenyl Ligand

  摘要：

  A new class of [CCC] X-3-donor pincer ligand for transition metals has been constructed via cyclometalation of a 2,6-di-p-tolylphenyl ([Ar-Tol2]) derivative. Specifically, addition of PMe3 to [Ar-Tol2]TaMe3Cl induces elimination of methane and formation of the pincer complex, [kappa(3)-Ar-Tol2]-Ta(PMe3)(2)MeCl (Tol' = C6H3Me), which may also be obtained by treatment of Ta(PMe3)(2)Me3Cl2 with [Ar-Tol2]Li. Solutions of [kappa(3)-Ar-Tol2]Ta(PMe3)(2)MeCl undergo ligand redistribution with the formation of [kappa(3)-Ar-Tol2]Ta(PMe3)(2)Me-2 and [kappa(3)-Ar-Tol2]Ta(PMe3)(2)Cl-2, which may also be synthesized by the reactions of [kappa(3)-Ar-Tol2]Ta(PMe3)(2)MeCl with MeMgBr and ZnCl2, respectively. Reduction of [kappa(3)-Ar-Tol2]Ta(PMe3)(2)Cl-2 with KC8 in benzene gives the benzene complex [kappa(3)-Ar-Tol2]-Ta(PMe3)(2)(eta(6)-C6H6) that is better described as a 1,4-cyclohexadienediyl derivative. Deuterium labeling employing Ta(PMe3)(2)-(CD3)(3)Cl-2 demonstrates that the pincer ligand is created by a pair of Ar-H/Ta-Me sigma-bond metathesis transformations, rather than by a mechanism that involves alpha-H abstraction by a tantalum methyl ligand.

  DOI：

  10.1021/ja210404x
• 作为产物：
  描述：

  Ta(trimethylphosphine)2Me3Cl2 、 (4,4''-dimethyl-[1,1':3',1''-terphenyl]-2'-yl)lithium 以 氘代苯 为溶剂， 以48%的产率得到[κ3-2,6-di-p-tolylphenyl]Ta(PMe3)2MeCl
  参考文献：
  名称：

  A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X₃-Donor Array Derived from a Terphenyl Ligand

  摘要：

  A new class of [CCC] X-3-donor pincer ligand for transition metals has been constructed via cyclometalation of a 2,6-di-p-tolylphenyl ([Ar-Tol2]) derivative. Specifically, addition of PMe3 to [Ar-Tol2]TaMe3Cl induces elimination of methane and formation of the pincer complex, [kappa(3)-Ar-Tol2]-Ta(PMe3)(2)MeCl (Tol' = C6H3Me), which may also be obtained by treatment of Ta(PMe3)(2)Me3Cl2 with [Ar-Tol2]Li. Solutions of [kappa(3)-Ar-Tol2]Ta(PMe3)(2)MeCl undergo ligand redistribution with the formation of [kappa(3)-Ar-Tol2]Ta(PMe3)(2)Me-2 and [kappa(3)-Ar-Tol2]Ta(PMe3)(2)Cl-2, which may also be synthesized by the reactions of [kappa(3)-Ar-Tol2]Ta(PMe3)(2)MeCl with MeMgBr and ZnCl2, respectively. Reduction of [kappa(3)-Ar-Tol2]Ta(PMe3)(2)Cl-2 with KC8 in benzene gives the benzene complex [kappa(3)-Ar-Tol2]-Ta(PMe3)(2)(eta(6)-C6H6) that is better described as a 1,4-cyclohexadienediyl derivative. Deuterium labeling employing Ta(PMe3)(2)-(CD3)(3)Cl-2 demonstrates that the pincer ligand is created by a pair of Ar-H/Ta-Me sigma-bond metathesis transformations, rather than by a mechanism that involves alpha-H abstraction by a tantalum methyl ligand.

  DOI：

  10.1021/ja210404x