[(η5-C5H5)(η5-C5H4CMe2(CH2)4Ph)ZrCl2] | 1312761-76-4

• 英文名称: [(η5-C5H5)(η5-C5H4CMe2(CH2)4Ph)ZrCl2]
• CAS: 1312761-76-4
• 化学式: C₂₃H₂₈Cl₂Zr
• 分子量: 466.605
• InChiKey: UCGATURXYVORDR-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  盐酸 、 [(η5-C5H5)(η5,η1,η1-C5H4CMe2(CH2)2CHCH2C6H4)Zr] 以 乙醚 、 正庚烷 为溶剂， 以47%的产率得到[(η5-C5H5)(η5-C5H4CMe2(CH2)4Ph)ZrCl2]
  参考文献：
  名称：

  Intramolecular activation of pendant alkenyl group as a tool for modification of the zirconocene framework

  摘要：

  The diphenyl zirconocene [(eta(5)-C(5)H(5)){eta(5)-C(5)H(4)CMe(2)(CH(2))(2)CH=CH(2)}ZrPh(2)] (2) was readily obtained from the corresponding zirconocene dichloride 1 and two equivalents of phenyllithium. Upon thermal treatment at 80 degrees C, complex 2 released benzene, with concomitant activation of the pendant double bond and formation of intramolecularly alpha-tethered zirconaindane [(eta(5)-C(5)H(5)){eta(5), eta(1), eta(1)-C(5)H(4)CMe(2)(CH(2))(2)CHCH(2)C(6)H(4)}Zr] (3). Both Zr-C sigma-bonds in 3 easily undergo nucleophilic reactions with two equivalents of HCl or one equivalent of Cl(2)PPh giving rise to zirconocene dichlorides with pendant phenyl group [(eta(5)-C(5)H(5)){eta(5)-C(5)H(4)CMe(2)(CH(2))(4)Ph}ZrCl(2)] (4) or with 1-phenylphosphindolinyl moiety [(eta(5)-C(5)H(5)){eta(5)-C(5)H(4)CMe(2)(CH(2))(2)cyclo-CHCH(2)C(6)H(4)P(Ph)}ZrCl(2)] (5), respectively. (C) 2011 Published by Elsevier B.V.

  DOI：

  10.1016/j.ica.2011.03.061