(Cp*Zr(H)NCH3(C6H5)2)(B(C6F5)4) | 420787-80-0

• 英文名称: (Cp*Zr(H)NCH3(C6H5)2)(B(C6F5)4)
• CAS: 420787-80-0
• 化学式: C₂₄BF₂₀*C₃₃H₄₄NZr
• 分子量: 1224.99
• InChiKey: XGIZRWSFQFBUKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  [Ph2MeNH][B(C6F5)4] 、 Cp*Zr(CH3)CH2CH(CH3)2 以 二氯甲烷-D2 为溶剂， 生成 (Cp*Zr(H)NCH3(C6H5)2)(B(C6F5)4)
  参考文献：
  名称：

  Observation of non-chelated bis(pentamethylcyclopentadienyl)zirconium-alkyl–alkene complexes is thwarted by competitive arene or amine coordination or by β-hydride elimination

  摘要：

  The reaction of Cp-2*Zr(CH3)(2) (1) with [(C6H5)(3)C][B(C6F5)(4)] in CD2Cl2 at - 78 degreesC proceeds with the unexpected formation of [Cp-2*Zr(CH3)eta-C6H5C(C6H5)(2)CH3][B(C6F5)(4)] (2). Evidence for the coordination of one of the phenyl rings to zirconium comes from H-1- and C-13-NMR chemical shifts and from nOe experiments showing spin saturation transfer from the Cp* methyl protons to the protons of the bound phenyl ring. No chemical exchange between the bound and free phenyl rings is observed up to 0 degreesC, where decomposition to intractable products occurs. Attempts to disfavor coordination of the arene ring by employing a more sterically protective isobutyl substituent in Cp-2*Zr(CH3)CH2CH(CH3)(2) (7) led to rapid, quantitative beta-hydride elimination producing isobutylene and [Cp-2*Zr(H)eta-C6H5C(C6H5)(2)CH3][B(C6F5)(4)] (8) even at temperatures as low as - 135 degreesC. Addition of propylene to cold solutions of the trityl-coordinated complexes resulted in very rapid formation of polypropylene, This polymerization resulted in no observable changes in the NMR spectra of the zirconium complexes in solution. implying a very rapid rate of propagation following a much slower first monomer insertion. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)01217-7