[(η(5)-pentamethylcyclopentadienyl)TiMe2(μ-Me)TiMe2(pentamethylcyclopentadienyl)]MeB(C6F5)3 | 186421-26-1

• 英文名称: [(η(5)-pentamethylcyclopentadienyl)TiMe2(μ-Me)TiMe2(pentamethylcyclopentadienyl)]MeB(C6F5)3
• CAS: 186421-26-1
• 化学式: C₁₉H₃BF₁₅*C₂₅H₄₅Ti₂
• 分子量: 968.412
• InChiKey: PJHZBSNBYSDOMI-UHFFFAOYSA-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：

  [(η(5)-pentamethylcyclopentadienyl)TiMe2(μ-Me)TiMe2(pentamethylcyclopentadienyl)]MeB(C6F5)3 、 三(五氟苯基)硼烷 以 not given 为溶剂， 生成 (η(5)-pentamethylcyclopentadienyl)TiMe2(μ-Me)B(C6F5)3
  参考文献：
  名称：

  The formation and structures of the methyl-bridged complexes Cp∗TiMe2(μ-Me)B(C6F5)3 and [Cp∗TiMe2(μ-Me)TiMe2Cp∗][MeB(C6F5)3]

  摘要：

  Reaction of the compound Cp*TiMe(3) (Cp* = eta(5)-pentamethylcyclopentadienyl) with the potent Lewis acid B(C6F5)(3) results in methyl carbanion abstraction from the titanium and formation of the corresponding complex Cp*TiMe(2)(mu-Me)B(C6F5)(3), in which a methyl group bridges the titanium and boron atoms. The isotopically labelled compounds Cp*Ti(CH2D)(3), Cp*Ti(CH2D)(2)(mu-CH2D)B(C6F5)(3), Cp*Ti((CH3)-C-13)(3), and Cp*Ti((CH3)-C-13)(2)(mu-(CH3)-C-13)B(C6F5)(3) have also been prepared to provide NMR probes of the possibility of alpha-agostic bonding in these compounds, and while the answer appears to be 'no', a caveat on the use of this type of experiment is proposed. The compounds Cp*TiMe(3) and Cp*TiMe(2)(mu-Me)B(C6F5)(3) react further to form the novel but unstable methyl-bridged species [Cp*TiMe(2)(mu-Me)TiMe(2)Cp*][MeB(C6F5)(3)], which has been characterized by H-1 and C-13{H-1} NMR spectroscopy.

  DOI：

  10.1016/s0022-328x(96)06622-3
• 作为产物：
  描述：

  carbanide,cyclopenta-1,3-diene,titanium(4+) 、 三(五氟苯基)硼烷 以 二氯甲烷-D2 为溶剂， 生成 [(η(5)-pentamethylcyclopentadienyl)TiMe2(μ-Me)TiMe2(pentamethylcyclopentadienyl)]MeB(C6F5)3
  参考文献：
  名称：

  The formation and structures of the methyl-bridged complexes Cp∗TiMe2(μ-Me)B(C6F5)3 and [Cp∗TiMe2(μ-Me)TiMe2Cp∗][MeB(C6F5)3]

  摘要：

  Reaction of the compound Cp*TiMe(3) (Cp* = eta(5)-pentamethylcyclopentadienyl) with the potent Lewis acid B(C6F5)(3) results in methyl carbanion abstraction from the titanium and formation of the corresponding complex Cp*TiMe(2)(mu-Me)B(C6F5)(3), in which a methyl group bridges the titanium and boron atoms. The isotopically labelled compounds Cp*Ti(CH2D)(3), Cp*Ti(CH2D)(2)(mu-CH2D)B(C6F5)(3), Cp*Ti((CH3)-C-13)(3), and Cp*Ti((CH3)-C-13)(2)(mu-(CH3)-C-13)B(C6F5)(3) have also been prepared to provide NMR probes of the possibility of alpha-agostic bonding in these compounds, and while the answer appears to be 'no', a caveat on the use of this type of experiment is proposed. The compounds Cp*TiMe(3) and Cp*TiMe(2)(mu-Me)B(C6F5)(3) react further to form the novel but unstable methyl-bridged species [Cp*TiMe(2)(mu-Me)TiMe(2)Cp*][MeB(C6F5)(3)], which has been characterized by H-1 and C-13{H-1} NMR spectroscopy.

  DOI：

  10.1016/s0022-328x(96)06622-3