| 138054-15-6

• CAS: 138054-15-6
• 化学式: C₄₆H₇₄Hf₂
• 分子量: 984.074
• InChiKey: CCQDRSNNZVPWPB-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：
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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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  (η(5)-C5Me5)2HfH2 、 1,5-已二烯 以 Petroleum ether 为溶剂， 以89%的产率得到
  参考文献：
  名称：

  Alkanediyl and related derivatives of permethylhafnocene

  摘要：

  The reactions of Cp*2HfH2 (Cp* = (eta(5)-C5Me5)) with alpha,omega-dienes (1,3-butadiene, 1,4-pentadiene, 1,5-hexadiene and 1,6-heptadiene) in a 2:1 molar ratio yield the new binuclear alkanediyl derivatives Cp*2-(H)Hf(CH2)nHf(H)Cp*2 (n = 4-7). The reactions of Cp*2HfH2 with the same dienes in a 1:1 molar ratio lead to the mononuclear compounds Cp*2(H)Hf(eta(3)-CH2CHCHCH3), Cp*2HfCH2(CH2)2CH(CH3), Cp*2- activated HfCH2(CH2)3CH(CH3), and the alpha-hafna-omega-alkene Cp*2(H)HfCH2(CH2)4CH = CH2, respectively. Allene reacts with Cp*2HfH2 (1:1) to cleanly afford the allyl hydride derivative, Cp*2(H)Hf(eta(3)-CH2CHCH2); reaction with a 1:2 ratio yields a mixture of products, one of which appears to be Cp*2(H)Hf(CH2)3Hf(H)Cp*2. Reaction of Cp*2HfH2 with acetylene yields Cp*2(H)HfCH = CH2, which does not react with excess Cp*2HfH2 to yield the ethanediyl derivative. 1,3-Pentadiene and Cp*2HfH2 cleanly yield Cp*2(H)Hf(eta(3)-CH2CHCHCH2CH3). The thermal stabilities and reactions of some of these derivatives with excess diene, ethylene, CO, H2, and H2O have been investigated. The possibility of extending this chemistry to the permethyltitanocene and permethylzirconocene systems has also been explored.

  DOI：

  10.1021/om00038a022