[Hf(C5H3-1,3-(t)Bu2)(C5H5)Cl2] | 180857-73-2

• 英文名称: [Hf(C5H3-1,3-(t)Bu2)(C5H5)Cl2]
• CAS: 180857-73-2
• 化学式: C₁₈H₂₆Cl₂Hf
• 分子量: 491.8
• InChiKey: HDKKAGHUZFRYAL-UHFFFAOYSA-L

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：

  dibenzylmagnesiumbis(tetrahydrofuran) 、 [Hf(C5H3-1,3-(t)Bu2)(C5H5)Cl2] 以 正己烷 为溶剂， 生成 [Hf(C5H3-1,3-(t)Bu2)(C5H5)(CH2C6H5)2]
  参考文献：
  名称：

  Synthesis and characterization of tert-butylcyclopentadienyl derivatives of hafnium

  摘要：

  Reaction of Si(C5H3-1,3-(t)Bu(2))Me(3) with HfCl4 in toluene or hexane at room temperature afforded the new trichloro monocyclopentadienyl derivatives [Hf(eta(5)-C5H3-1,3-(t)Bu(2))Cl-3] (1). Treatment of [Hf(eta(5)-C5H3-1,3-(t)Bu(2))Cl-3] with the appropriate alkylating reagent in hexane gave the mono[1,3-di(tert-butyl)cyclopentadienyl] trialkyl hafnium complexes [Hf(eta(5)-C5H3-1,3-(t)Bu(2))R(3)] [R = CH3 (2), CH2C6H5(3), CH2Si(CH3)(3) (4)]. When [Hf(eta(5)-C5H3-1,3-(t)Bu(2))Cl-3] reacts with 1 equivalent of TlCp in toluene at room temperature the mixed dicyclopentadienyl complex [Hf(eta(5)-C5H3-1,3-(t)Bu(2))(eta(5)-C5H5)Cl-2] (5) was isolated in almost quantitative yield. Reaction of 5 with LiMe led to the dimethyl complex [Hf(eta(5)-C5H3-1,3-(t)Bu(2))(eta(5)-C5H5)(CH3)(2)] (6). However, the analogous reaction of a hexane solution of 5 with MgBz(2) . 2THF in the presence of traces of water afforded the mu oxo derivative [{Hf(eta(5)-C5H3-1,3-(t)Bu(2))(eta(5)-C5H5)(CH2C6H5)}(2)(mu-O)] (7).

  DOI：

  10.1016/0022-328x(95)06020-w
• 作为产物：
  描述：

  [Hf(C5H3-1,3-(t)Bu2)Cl3] 、 cyclopentadienylthallium(I) 以 甲苯 为溶剂， 以98%的产率得到[Hf(C5H3-1,3-(t)Bu2)(C5H5)Cl2]
  参考文献：
  名称：

  Synthesis and characterization of tert-butylcyclopentadienyl derivatives of hafnium

  摘要：

  Reaction of Si(C5H3-1,3-(t)Bu(2))Me(3) with HfCl4 in toluene or hexane at room temperature afforded the new trichloro monocyclopentadienyl derivatives [Hf(eta(5)-C5H3-1,3-(t)Bu(2))Cl-3] (1). Treatment of [Hf(eta(5)-C5H3-1,3-(t)Bu(2))Cl-3] with the appropriate alkylating reagent in hexane gave the mono[1,3-di(tert-butyl)cyclopentadienyl] trialkyl hafnium complexes [Hf(eta(5)-C5H3-1,3-(t)Bu(2))R(3)] [R = CH3 (2), CH2C6H5(3), CH2Si(CH3)(3) (4)]. When [Hf(eta(5)-C5H3-1,3-(t)Bu(2))Cl-3] reacts with 1 equivalent of TlCp in toluene at room temperature the mixed dicyclopentadienyl complex [Hf(eta(5)-C5H3-1,3-(t)Bu(2))(eta(5)-C5H5)Cl-2] (5) was isolated in almost quantitative yield. Reaction of 5 with LiMe led to the dimethyl complex [Hf(eta(5)-C5H3-1,3-(t)Bu(2))(eta(5)-C5H5)(CH3)(2)] (6). However, the analogous reaction of a hexane solution of 5 with MgBz(2) . 2THF in the presence of traces of water afforded the mu oxo derivative [{Hf(eta(5)-C5H3-1,3-(t)Bu(2))(eta(5)-C5H5)(CH2C6H5)}(2)(mu-O)] (7).

  DOI：

  10.1016/0022-328x(95)06020-w