Cp2ZrH((μ-H)2BHPh) | 847056-82-0

• 英文名称: Cp2ZrH((μ-H)2BHPh)
• CAS: 847056-82-0
• 化学式: C₁₆H₁₉BZr
• 分子量: 313.362
• InChiKey: YZDQWHKWYXTCOF-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：
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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：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  乙醚 、 Cp2ZrH((μ-H)2BHPh) 、 三(五氟苯基)硼烷 以 乙醚 为溶剂， 以30.5%的产率得到[Cp2Zr(OEt2)(OEt)][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：

  Cp2ZrCl((μ-H)2BHPh)2*0.5toluene 以 neat (no solvent) 为溶剂， 以0%的产率得到Cp2ZrH((μ-H)2BHPh)
  参考文献：
  名称：

  锆茂和钛茂相的三氢硼酸苯酯配合物的合成，结构和性质,锆茂和钛茂相的三氢硼酸苯酯配合物的合成，结构和性质

  摘要：

  由Cp反应制得苯基三氢硼酸酯配合物Cp 2 ZrCl {（μ-H）2 BHPh} 1和Cp 2 Zr {（μ-H）2 BHPh} 2  ·（1/2甲苯）2。2的ZrCl 2与的LiBH的一个和两个摩尔3 pH值。在中Zr-H-B键2是稳定的真空下在100℃下不分解显著小时。已经提出了这种强相互作用的感应作用。与路易斯碱N（C 2 H 5）3反应生成（C 2 H5）3 N·BH 2 Ph和氢化锆化合物Cp 2 ZrH {（μ-H）2 BHPh}，3。化合物3也可以由Cp 2 ZrHCl与LiBH 3 Ph反应制得。1与路易斯酸B（C 6 F 5）3的反应取决于溶剂，复分解产物Cp 2 ZrCl {（μ-H）在甲苯溶液中形成2 B（C 6 F 5）2 }，4，而离子络合物[Cp 2从醚溶液中分离出ZrCl（OEt 2）] [HB（C 6 F 5）3 ]，5。钛茂二氯化物Cp 2 TiCl 2与LiBH

  DOI：

  10.1016/j.jorganchem.2004.09.026