[Cp2Zr(OEt2)((μ-H)2BH2)][HB(C6F5)3] | 941578-57-0

• 英文名称: [Cp2Zr(OEt2)((μ-H)2BH2)][HB(C6F5)3]
• CAS: 941578-57-0
• 化学式: C₁₄H₂₄BOZr*C₁₈HBF₁₅
• 分子量: 823.372
• InChiKey: FTHJNNQBOMMOPO-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：

  四氢呋喃 、 [Cp2Zr(OEt2)((μ-H)2BH2)][HB(C6F5)3] 以 四氢呋喃 为溶剂， 生成 [Cp2Zr(THF)((μ-H)2BH2)][HB(C6F5)3]
  参考文献：
  名称：

  Effect of solvent on reactions of Cp2Zr{(μ-H)2BHR}2 and Cp2ZrH{(μ-H)2BHR} (R=CH3, Ph) with B(C6F5)3

  摘要：

  The effect that a solvent has on reactions of Cp2Zr{(mu-H)(2)BHR}(2) and Cp(2)ZrHj(mu-H)(2)BHR} (R = CH3, Ph) with B(C6F5)(3) has been studied. From the reaction in benzene the metathesis product Cp2Zr{(mu-H)(2)B(C6F5)(2)}(2), 2, was isolated. In the case of diethyl ether, different hydride abstraction products, including [Cp2Zr(OEt2){(mu-H)(2)BHPh}][HB(C6F5)(3)], 3, [Cp2Zr(OEt2) {(mu-H)(2)BHCH3)][HB(C6F5)(3)], 4, [Cp2Zr(OEt2){(mu-H)(2)BH2)][HB(C6F5)(3)], 5, and [Cp2Zr(OEt)(OEt2)][HB(C6F5)(3)], 6, were isolated depending on the starting zirconocene complex. The diethyl ether molecules of 3-6 are weakly coordinated to Zr and displaced in THF solution. Isolation of 3 and 4 is attributed to their fast precipitation from the reaction mixture, which prevented further reactions from occurring. In addition to the hydride abstraction, a hydride metathesis was also involved in the formation of 5. Time-elapsed B-11 NMR studies indicate that 3 and 4 are the intermediates on the pathway to 5 and 6. The molecular structures of 2-6 were determined by single-crystal X-ray diffraction. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.02.031
• 作为产物：
  描述：

  乙醚 、 Cp2ZrCl((μ-H)2BHPh)2*0.5toluene 、 三(五氟苯基)硼烷 以 乙醚 为溶剂， 以87.4%的产率得到[Cp2Zr(OEt2)((μ-H)2BH2)][HB(C6F5)3]
  参考文献：
  名称：

  Effect of solvent on reactions of Cp2Zr{(μ-H)2BHR}2 and Cp2ZrH{(μ-H)2BHR} (R=CH3, Ph) with B(C6F5)3

  摘要：

  The effect that a solvent has on reactions of Cp2Zr{(mu-H)(2)BHR}(2) and Cp(2)ZrHj(mu-H)(2)BHR} (R = CH3, Ph) with B(C6F5)(3) has been studied. From the reaction in benzene the metathesis product Cp2Zr{(mu-H)(2)B(C6F5)(2)}(2), 2, was isolated. In the case of diethyl ether, different hydride abstraction products, including [Cp2Zr(OEt2){(mu-H)(2)BHPh}][HB(C6F5)(3)], 3, [Cp2Zr(OEt2) {(mu-H)(2)BHCH3)][HB(C6F5)(3)], 4, [Cp2Zr(OEt2){(mu-H)(2)BH2)][HB(C6F5)(3)], 5, and [Cp2Zr(OEt)(OEt2)][HB(C6F5)(3)], 6, were isolated depending on the starting zirconocene complex. The diethyl ether molecules of 3-6 are weakly coordinated to Zr and displaced in THF solution. Isolation of 3 and 4 is attributed to their fast precipitation from the reaction mixture, which prevented further reactions from occurring. In addition to the hydride abstraction, a hydride metathesis was also involved in the formation of 5. Time-elapsed B-11 NMR studies indicate that 3 and 4 are the intermediates on the pathway to 5 and 6. The molecular structures of 2-6 were determined by single-crystal X-ray diffraction. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.02.031