Cp(η(5)-C5Me5)Hf[Si(SiMe3)3](OCHMe2) | 185025-58-5

• 英文名称: Cp(η(5)-C5Me5)Hf[Si(SiMe3)3](OCHMe2)
• CAS: 185025-58-5
• 化学式: C₂₇H₅₄HfOSi₄
• 分子量: 685.557
• InChiKey: SWZITNCOYADBFN-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：

  (η5-C5H5)(η5-C5Me5)HfHCl 、 tris(trimethylsilyl)silyl lithium * 3 tetrahydrofuran 、 丙酮 以 氘代苯 为溶剂， 生成 Cp(η(5)-C5Me5)Hf[Si(SiMe3)3](OCHMe2)
  参考文献：
  名称：

  Synthesis and Reactivity of 16-Electron Hafnocene Silyl Hydride Complexes

  摘要：

  The synthesis and reactivity of monomeric, 16-electron hafnocene silyl hydride complexes are described. The complex CpCp*Hf[Si(SiMe(3))(3)]H (1; Cp* = eta(5)-C(5)Me(5)), prepared by the reaction of CpCp*Kf(H)Cl with (THF)(3)LiSi(SiMe(3))(3), reacts rapidly with bath ethylene and diphenylacetylene with elimination of HSi(SiMe(3))(3) to afford the corresponding hafnacyclopentane and tetraphenylhafnacyclopentadiene complexes. Complex 1 reacts with acetone to give the insertion product CpCp*Hf(OCHMe(2))[Si(SiMe(3))(3)] (4). Reaction of 1 with the secondary silane H2Si(SiMe(3))(2) proceeds smoothly to the new silyl hydride complex CpCp*Hf[SiH(SiMe(3))(2)]H (5), which was characterized by X-ray crystallography. Deuterium labeling experiments indicate that the latter reaction occur's with significant scrambling of label between the SiH and HfH positions. The tertiary silane Ph(3)SiH does not react under comparable conditions. The silane H2Si(SiMe(3))(2) undergoes a similar a-bond metathesis reaction with CpCp*Hf[Si(SiMe(3))(3)]Cl, to give CpCp*Hf[SiH(SiMe(3))(2)]Cl (7). For the latter reaction, there is a photochemical dependence on the rate and course of the reaction pathway. Exposure of the reaction mixture to room light is critical for complete conversion to 7.

  DOI：

  10.1021/om9607560