| 437713-80-9

• CAS: 437713-80-9
• 化学式: C₁₀H₁₈Cl₂N₂SiTi
• 分子量: 313.138
• InChiKey: HAWJKUBXCAURMX-UHFFFAOYSA-L

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：

  Ti(η(5)-C5H4SiMe2Cl)Cl3 、 1,3-丙二胺 在 NEt₃ 作用下， 以 氘代苯 为溶剂， 生成 、
  参考文献：
  名称：

  Cyclopentadienyl-Amido Ligands with a Pendant “−NHR” Amino Functionality in Titanium Chemistry. Molecular Structure of [Ti{η⁵-C₅H₄SiMe₂-η-N(CH₂)₂-η-NHCHMe₂}Cl₂]

  摘要：

  The reaction of the chlorodimethylsilyl-substituted cyclopentadienyl titanium compound [Ti(eta(5)-C5H4SiMe2Cl)Cl-3] (1) with 1 equiv of NH2(CH2)(2)NHR (R = H, CHMe2), in the presence of 2 equiv of NEt3, afforded the mononuclear complexes [Ti{eta(5)-C5H4SiMe2-eta-N(CH2)(2)-eta-NHR}Cl-2] (R = H, 2; CHMe2, 3) in high yield. While 2 is stable in solution, 3 slowly evolves into the strain-free complex [Ti{eta(5)-C5H4SiMe2NH(CH2)(2)-eta-NCHMe2}Cl-2] (4). 1 reacts with 0.5 equiv of ethylenediamine to yield a mixture of 2 and the dinuclear titanium complex [Ti{eta(5)-C5H4SiMe2-eta-N(CH2)-}Cl-2](2) (5), which contains two tethered cyclopentadienyl-silyl-amido fragments. Compound 5 is also obtained from the reaction of 2 with 1. Treatment of 1 with 0.5 equiv of propylenediamine rendered the dinuclear compound [Ti{eta(5)-C5H4SiMe2-N(CH2)(1.5)-}Cl-2](2) (6), whereas a mixture of 6 and the mononuclear species-[Ti{eta(5)-C5H4SiMe2-eta-N(CH2)(3)NH2}Cl-2] (7) was spectroscopically observed when 1 was reacted with 1 equiv of NH2(CH2)(3)NH2 in C6D6. A similar reaction of 1 with N-methylpropylenediamine regioselectively affords the unstrained mononuclear compound [Ti{eta(5)-C5H4SiMe2NH(CH2)(3)-eta-NMe}Cl-2] (8). Dinuclear derivatives [Ti{eta(5)-C5H4SiMe2-eta-N(CH2)(x)-}Cl-2](2) (x = 2 (9); 2.5 (10)) were prepared by reacting complex 1 with butylenediamine and pentylenediamine, respectively. These compounds were characterized by elemental analysis and NMR spectroscopy. The crystal structure of 3 was determined by X-ray diffraction methods.

  DOI：

  10.1021/om0110890