[TiCl(η5-C5Me4(t-Bu))2] | 808132-86-7

• 英文名称: [TiCl(η5-C5Me4(t-Bu))2]
• CAS: 808132-86-7
• 化学式: C₂₆H₄₂ClTi
• 分子量: 437.952
• InChiKey: LEKOTOYAFMUIBZ-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：

  [TiCl(η5-C5Me4(t-Bu))2] 在 sodium amalgam 作用下， 以 not given 为溶剂， 生成 [(η5-C5Me4CMe3)2Ti]
  参考文献：
  名称：

  Dinitrogen Activation by Titanium Sandwich Complexes

  摘要：

  The activation of dinitrogen by titanium sandwich complexes of the general form (eta5-C5Me4R)2Ti (R = CHMe2, CMe3, SiMe3) has been systematically investigated. Low-temperature, in situ, solution infrared spectroscopy has allowed detection of monomeric bis-dinitrogen complexes of titanium that are isostructural with more familiar dicarbonyl derivatives. One example, (eta5-C5Me4CHMe2)2Ti(N2)2, has also been characterized by X-ray diffraction and reveals weakly activated dinitrogen ligands. From the solution IR data, the relative azophilicity of the titanium sandwich complexes has been established and increases with smaller cyclopentadienyl substituents.

  DOI：

  10.1021/ja045884r
• 作为产物：
  描述：

  [TiCl2(η5-C5Me4t-Bu)2] 在 Mg 作用下， 以 四氢呋喃 为溶剂， 生成 [TiCl(η5-C5Me4(t-Bu))2]
  参考文献：
  名称：

  Thermolysis of titanocene methyl compounds bearing t-butyl- and benzyltetramethylcyclopentadienyl ligands

  摘要：

  Elimination of methane during thermolysis of title compounds results in the formation of sigma-Ti-C bond to t-butyl or benzyl group. The t-butyl-containing titanocene methyl compound [Ti(III)Me(eta(5)-C(5)Me(4)t-Bu)(2)] (5) eliminates methane at 110 degrees C to give cleanly [Ti(III)(eta(5):eta(1)-C5Me4CMe2CH2)(eta(5)-C(5)Me(4)t-Bu)] (6). The methyl derivative of analogous benzyl-containing titanocene [Ti(III)Me(eta(5)-C5Me4CH2Ph)(2)] was not isolated because it eliminated methane at ambient temperature to give [Ti(III)(eta(5):eta(1)-C5Me4CH2-o-C6H4)(eta(5)-C5Me4CH2Ph)] (7) with one phenyl ring linked to titanium atom in ortho-position. The corresponding titanocene dimethyl compound [TiMe2{eta(5)-C(5)Me(4)t-Bu)}(2)] (9) eliminates two methane molecules at 110 degrees C to give the singly tucked-in 1,1-dimethylethane-1,2-diyl-tethered titanocene [Ti{eta(5):eta(1):eta(1)-C5Me3(CH2)(CMe2CH2)}(eta(5)-C(5)Me(4)t-Bu)] (11). In distinction, the analogous benzyl derivative [TiMe2(eta(5)-C5Me4CH2Ph)(2)] (10) eliminates at 110 degrees C only one methane molecule to afford [TiMe(eta(5):eta(1)-C5Me4CH2-o-C6H4)(eta(5)-C5Me4CH2Ph)] (12) containing one phenyl group attached to titanium in o-position and one methyl group persisting on the titanium atom. This compound is stable at 150 degrees C for at least 3 h. The crystal structures of 5, 6, 7, and 10 were determined. (c) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.01.039