[Ta(η5-C5Me5)Me2(O*B(C6F5)3)] | 850427-28-0

• 英文名称: [Ta(η5-C5Me5)Me2(O*B(C6F5)3)]
• CAS: 850427-28-0
• 化学式: C₃₀H₂₁BF₁₅OTa
• 分子量: 874.231
• InChiKey: BPVSOQAQMUIGMI-UHFFFAOYSA-N

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：
  None
• 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：

  [Ta(η5-C5Me5)Me2(O*B(C6F5)3)] 、 2, 6-二甲基苄氰 以 甲苯 为溶剂， 以91%的产率得到
  参考文献：
  名称：

  带有氧代和氧代-硼烷配体的 η2-亚氨基酰基和 η2-酰基单环戊二烯基钽配合物

  摘要：

  通过 [TaCp*R 2 {OB(C 6 F 5 ) 3 }] (R = CH 2 Ph, Me) 与 Ph 3 CCl 反应的烷基-氯配体交换得到单烷基化合物 [TaCp*RCl{OB(C 6 F 5 ) 3 )] (R = CH 2 Ph, Me)。CNAr (Ar = 2,6-Me 2 C 6 H 3 ) 和 CO 插入单-和二烷基配合物的 Ta-C 键中得到亚氨基酰基化合物 [TaCp*X{η 2 -C(R)=NAr }{OB-(C 6 F 5 ) 3 }] (X = R = CH 2 Ph, Me; X = Cl, R = CH 2 Ph) 和酰基化合物 (TaCp*X{η 2 -C(R) =O}{OB(C6F5)3)]（X = R = CH 2 Ph，Me；X = Cl，R = CH 2 Ph）。相关的氯化合物[TaCp*Cl{η 2 -C(Me)=NAr}{OB(C 6 F 5

  DOI：

  10.1002/ejic.200500643
• 作为产物：
  描述：

  tris(pentafluorophenyl)borane hydrate 、 (pentamethylcyclopentadienyl)tetramethyltantalum 以 甲苯 为溶剂， 以82%的产率得到[Ta(η5-C5Me5)Me2(O*B(C6F5)3)]
  参考文献：
  名称：

  用路易斯酸捕获单环戊二烯基钽配合物的不稳定末端Ta-O多键

  摘要：

  Ta-Cl或Ta-C键与水配位加合物[H 2 O·B（C 6 F 5）3 ]的水解可合成硼烷稳定的配合物[TaCp * R 2 {O·B（C 6 F 5）3 }]（R = Cl，CH 2 Ph，Me）具有钽-氧代多重键。在吡啶存在下的氯衍生物释放加合物[py·B（C 6 F 5）3 ]，并形成氧桥化合物[TaCp * Cl 2（μ-O）] 2。已进行DFT计算以确定Ta-O和O-B键的电子性质。

  DOI：

  10.1021/om049012+

文献信息

• Trapping Unstable Terminal M−O Multiple Bonds of Monocyclopentadienyl Niobium and Tantalum Complexes with Lewis Acids
  作者：Javier Sánchez-Nieves、Luis M. Frutos、Pascual Royo、Obis Castaño、Eberhardt Herdtweck、Marta E. G. Mosquera

  DOI：10.1021/ic1016609

  日期：2010.11.15

  CpR = Cp′, X = Cl 2a) afforded the oxo-alane complexes [MCpRX2O·Al(C6F5)3}] (M = Ta, CpR = Cp*, X = Cl 3a, Bz 3b, Me 3c; M = Nb, CpR = Cp′, X = Cl 4a), releasing B(C6F5)3. Compound 3a was also obtained by addition of Al(C6F5)3 to the dinuclear μ-oxo compound [TaCp*Cl2(μ-O)]2, meanwhile addition of the water adduct H2O·Al(C6F5)3 to [TaCp*Me4] gave complex 3c. The structure of 2a and 3a was obtained

  的水解[NbCP'Cl 4 ]（CP'=η 5 -C 5 H ^ 4森达3）与水的加合物ħ 2 O·B（C 6 ˚F 5）3，得到氧代硼烷化合物〔NbCP'Cl 2 O·B（C 6 F 5）3 }]（2a）。该化合物与[MgBz 2（THF）2 ]反应，得到[NbCP'Bz 2 O·B（C 6 F 5）3 }]（2b），而[NbCP'Me 2 O·B（C 6 F由[NbCP'Me 4 ]与H 2 O·B（C 6 F 5）3的反应获得（5）3 }]（2c）。的Al（C的另外6 ˚F 5）3，以含有氧代硼烷化合物[MCP解决方案- [R X 2 O·B（C 6 ˚F 5）3 }]（M =钽中，CP [R =η 5 -C 5我5（CP *），X = Cl 1a，Bz 1b，Me 1c； M = Nb，CP R＝ CP′，X ＝ Cl 2a）得到氧代-烷烃配合物[MCa href=https://www.molaid.com/MS_6449 target="_blank">CP R X 2 O·Al（C
• Synthesis of the Cation Complex [TaCp*Me₃]⁺ and a Comparison of Its Reactivity with That of [TaCp*Me₄]
  作者：Javier Sánchez-Nieves、Pascual Royo、Marta E. G. Mosquera

  DOI：10.1021/om060027c

  日期：2006.4.1

  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-2O 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*MeOC(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.