(η5-pentamethylcyclopentadienyl)2Hf(C(SiMe3)C(Ph)C(O)O) | 1040208-90-9

• 英文名称: (η5-pentamethylcyclopentadienyl)2Hf(C(SiMe3)C(Ph)C(O)O)
• CAS: 1040208-90-9
• 化学式: C₃₂H₄₄HfO₂Si
• 分子量: 667.276
• InChiKey: OMSQNNGMHWSNFP-UHFFFAOYSA-M

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

• 作为反应物：
  描述：

  (η5-pentamethylcyclopentadienyl)2Hf(C(SiMe3)C(Ph)C(O)O) 、 (η5-pentamethylcyclopentadienyl)2Hf(C(Ph)C(SiMe3)C(O)O) 、 水 以 氘代四氢呋喃 为溶剂， 生成 (η5-pentamethylcyclopentadienyl)2Hf(OH)(OC(O)C(SiMe3)=CHPh) 、 (η5-pentamethylcyclopentadienyl)2Hf(OH)(OC(O)C(Ph)=CHSiMe3)
  参考文献：
  名称：

  Synthesis and Reactions of Cp*₂Hf(η²-PhC₂SiMe₃) with Water and Carbon Dioxide

  摘要：

  The complexation of phenyl(trimethylsilyl)acetylene by decamethylhafnocene gave the complex Cp*(2)Hf(eta(2)-PhC(2)SiMe(3))(1-Hf). By comparison of detailed spectroscopic and structural data as well as of some regioselective reactions of 1-Hf to the titanium analogue Cp*2Ti(eta(2)-PhC(2)SiMe(3))(1-Ti) and the zirconium complex Cp*(2)Zr(eta(2)-PhC(2)SiMe(3))(1-Zr) one can try to understand how the metals interact in these complexes with differently substituted acetylenic carbon atoms. All data for 1-Hf show an extremely strong interaction of the alkyne with hafnium compared to the analogous compounds of titanium and zirconium. Complex 1-Hf reacted with water at the Hf-C(Ph) bond to form the complex Cp*(2)Hf(OH)-C(SiMe(3))=CHPh(2-Hf). With carbon dioxide, a mixture of regioisomeric hafnafuranones 4a/b-Hf was formed.

  DOI：

  10.1021/om8003064
• 作为产物：
  描述：

  (η5-pentamethylcyclopentadienyl)2Hf(η2-PhC2SiMe3) 、 二氧化碳 以 正己烷 为溶剂， 生成 (η5-pentamethylcyclopentadienyl)2Hf(C(SiMe3)C(Ph)C(O)O) 、 (η5-pentamethylcyclopentadienyl)2Hf(C(Ph)C(SiMe3)C(O)O)
  参考文献：
  名称：

  Synthesis and Reactions of Cp*₂Hf(η²-PhC₂SiMe₃) with Water and Carbon Dioxide

  摘要：

  The complexation of phenyl(trimethylsilyl)acetylene by decamethylhafnocene gave the complex Cp*(2)Hf(eta(2)-PhC(2)SiMe(3))(1-Hf). By comparison of detailed spectroscopic and structural data as well as of some regioselective reactions of 1-Hf to the titanium analogue Cp*2Ti(eta(2)-PhC(2)SiMe(3))(1-Ti) and the zirconium complex Cp*(2)Zr(eta(2)-PhC(2)SiMe(3))(1-Zr) one can try to understand how the metals interact in these complexes with differently substituted acetylenic carbon atoms. All data for 1-Hf show an extremely strong interaction of the alkyne with hafnium compared to the analogous compounds of titanium and zirconium. Complex 1-Hf reacted with water at the Hf-C(Ph) bond to form the complex Cp*(2)Hf(OH)-C(SiMe(3))=CHPh(2-Hf). With carbon dioxide, a mixture of regioisomeric hafnafuranones 4a/b-Hf was formed.

  DOI：

  10.1021/om8003064