| 172219-56-6

• CAS: 172219-56-6
• 化学式: C₂₄H₃₂OSiTi
• 分子量: 412.483
• InChiKey: QPXLNBXNWPEURK-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：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  [(C5H5)2Ti(η2-(CH3)3SiCC(C6H5))] 、 异丙醇 以 四氢呋喃 为溶剂， 以90%的产率得到
  参考文献：
  名称：

  Regioselektive reaktionen der fremdligandfreien titanocen-alkin-komplexe Cp2Ti(RC2SiMe3) (R = Me3Si,Ph, tBu, nBu)

  摘要：

  Depending on different substituents in the reaction of Cp(2)TiCl(2) with magnesium and the alkynylsilanes RC = CSiMe(3) (R = SiMe(3), Ph, (t)Bu, (n)Bu, Pr-n, Me) in tetrahydrofuran, titanacyclopropenes (R = SiMe(3), Ph, (t)Bu 1, (n)Bu 2), symmetrical substituted titanacyclopentadienes (R = Me 5) or in a competition reaction both types of complexes (R = Pr-n 3 and 4) were obtained.The compound Cp(2)Ti((t)BuC(2)SiMe(3)) 1 is the first example of a titanocene complex with an alkyl substituted alkyne without further ligands and was characterized by X-ray crystal structure analysis.The structural and spectroscopical data of 1 were compared with those of other well known complexes of that type, e.g. Cp(2)Ti(Me(3)SiC(2)SiMe(3)) and Cp(2)Ti(PhC(2)SiMe(2)) to investigate the influence of different substituents ((t)Bu, SiMe(3), Ph) upon alkyne complexation.The chemo- and regio-selectivities of the obtained alkyne complexes was studied in reactions with alkynes, alcohols, carbon dioxide and acetone. The reaction course depends mostly on steric restrictions, being in the first step kinetically favored at the Si-substituted C-atom of the alkyne and giving beta-SiMe(3)-substituted products, which rearrange in some cases into the thermodynamically more stable alpha-SiMe(3)-substituted products.

  DOI：

  10.1016/0022-328x(95)98949-z