bis(η(5)-cyclopentadienyl)butylzirconium benzyloxide | 185542-79-4

• 英文名称: bis(η(5)-cyclopentadienyl)butylzirconium benzyloxide
• CAS: 185542-79-4
• 化学式: C₂₁H₂₆OZr
• 分子量: 385.661
• InChiKey: OKZOHWAFXPIBRN-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：

  正丁基锂 、 二氯二茂锆 、 苯甲醇 以 四氢呋喃 、 正己烷 为溶剂， 以93%的产率得到bis(η(5)-cyclopentadienyl)butylzirconium benzyloxide
  参考文献：
  名称：

  Highly selective monofunctionalization of zirconacyclopentanes and dialkylzirconocene complexes

  摘要：

  Selective monofunctionalization was investigated for symmetrical zirconacyclopentanes or symmetrical dialkylzirconocenes. Reaction of zirconacyclopentanes, which were prepared by intermolecular coupling of two alkenes, or intramolecular cyclization of dienes, trienes or tetraenes on zirconium, with PPh(2)Cl or SnR(3)Cl (R = Me, Ph) gave monofunctionalized products in good to high yields with high selectivities. Even in the presence of 2 equiv, of PPh(2)Cl or SnR(3)Cl, only one Zr-carbon bond reacted. Treatment of zirconacycropentanes with methanol yielded monoprotonated complexes. Subsequent addition of halogen such as Br-2 and I-2 to these monoprotonated complexes gave highly selective monohalogenated products. Similar monoprotonation reactions proceeded for dialkylzirconocene or -hafnocene complexes. Reaction of Cp(2)MR(2) (M = Zr or Hf, R = alkyl or aryl) with alcohols afforded alkylalkoxyzirconocene or -hafnocene complexes, Cp(2)MR(OR') (M = Zr or Hf, R' = alkyl or aryl) in high yields with high selectivities. High selectivity of monofunctionalization using PPh(2)Cl, SnR(3)Cl or alcohols can be attributed to the different reactivities between monoalkylzirconocenes which are monofunctionalized products and zirconacyclopentanes or dialkylzirconocenes.

  DOI：

  10.1016/s0020-1693(96)05301-7