| 887503-19-7

• CAS: 887503-19-7
• 化学式: C₁₉H₃BF₁₅*C₂₀H₃₀OTa
• 分子量: 994.425
• InChiKey: SUIVBDRGVNXMBQ-ANWCDVFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  、 苯甲醛 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of the Cation Complex [TaCp*Me₃]⁺ and a Comparison of Its Reactivity with That of [TaCp*Me₄]

  摘要：

  The new ionic compound [TaCp*Me-3][MeB(C6F5)(3)] (1; CP* = eta(5)-C5Me5) was obtained by reaction of [TaCp*Me-4] with B(C6F5)(3). Addition of pyridine to the strongly acidic cation of 1 gave the new pyridine-coordinated cation [TaCp*Me-3(py)](+) (2). Hydrolysis of I in wet dichloromethane yielded the ionic compound [(TaCp*Me-2)(2)(mu-O)] [MeB (C6F5)(3)](2) (3), containing a dinuclear dication identified by X-ray diffraction. Similar hydrolysis of cation 1 as well as its pyridine adduct 2 with H2O center dot B(C6F5)(3) afforded the neutral oxoborane compound [TaCp*Me-2{O center dot B(C6F5)(3)}] with elimination of B(C6F5)(3) and py center dot B(C6F5)(3), respectively. Cation 1 inserted 1 equiv of PhC(O)H at room temperature to give the cationic alkoxo complex [TaCp*Me-2(OCHMePh)](+) (4), which reacted further with an additional I equiv of PhC(O)H to give a mixture of the rac and meso diastereoisomers of [TaCp*Me(OCHMePh)(2)](+) (5), whereas only the neutral alkoxo compound [TaCp*Me3(OCHMePh)) (6) was formed from the reaction of [TaCp*Me-4] with PhC(O)H upon heating. Cation I also reacted with I and 2 equiv of PhNCO to give [TaCp*Me-2-{OC(Me)NPh}](+) (7) and [TaCp*Me{OC(Me)NPh}(2)](+) (8) by insertion of isocyanate into one or two Ta-C bonds, respectively. However, heating [TaCp*Me-4] with PhNCO gave the dinuclear mu-oxo compound [(TaCp*Me-3)(2)(mu-O)] (9). Compound 1 showed rather low activity when tested as an ethylene polymerization catalyst.

  DOI：

  10.1021/om060027c
• 作为产物：
  描述：

  、 三(五氟苯基)硼烷 以 not given 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of the Cation Complex [TaCp*Me₃]⁺ and a Comparison of Its Reactivity with That of [TaCp*Me₄]

  摘要：

  The new ionic compound [TaCp*Me-3][MeB(C6F5)(3)] (1; CP* = eta(5)-C5Me5) was obtained by reaction of [TaCp*Me-4] with B(C6F5)(3). Addition of pyridine to the strongly acidic cation of 1 gave the new pyridine-coordinated cation [TaCp*Me-3(py)](+) (2). Hydrolysis of I in wet dichloromethane yielded the ionic compound [(TaCp*Me-2)(2)(mu-O)] [MeB (C6F5)(3)](2) (3), containing a dinuclear dication identified by X-ray diffraction. Similar hydrolysis of cation 1 as well as its pyridine adduct 2 with H2O center dot B(C6F5)(3) afforded the neutral oxoborane compound [TaCp*Me-2{O center dot B(C6F5)(3)}] with elimination of B(C6F5)(3) and py center dot B(C6F5)(3), respectively. Cation 1 inserted 1 equiv of PhC(O)H at room temperature to give the cationic alkoxo complex [TaCp*Me-2(OCHMePh)](+) (4), which reacted further with an additional I equiv of PhC(O)H to give a mixture of the rac and meso diastereoisomers of [TaCp*Me(OCHMePh)(2)](+) (5), whereas only the neutral alkoxo compound [TaCp*Me3(OCHMePh)) (6) was formed from the reaction of [TaCp*Me-4] with PhC(O)H upon heating. Cation I also reacted with I and 2 equiv of PhNCO to give [TaCp*Me-2-{OC(Me)NPh}](+) (7) and [TaCp*Me{OC(Me)NPh}(2)](+) (8) by insertion of isocyanate into one or two Ta-C bonds, respectively. However, heating [TaCp*Me-4] with PhNCO gave the dinuclear mu-oxo compound [(TaCp*Me-3)(2)(mu-O)] (9). Compound 1 showed rather low activity when tested as an ethylene polymerization catalyst.

  DOI：

  10.1021/om060027c