| 168283-42-9

• CAS: 168283-42-9
• 化学式: C₁₆H₂₉Cl₂NTi
• 分子量: 354.199
• InChiKey: CRGWHBHXAZHQPP-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：

  (五甲基环戊二烯基)三氯化钛(IV) 、 lithium diisopropyl amide 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Structural studies of monocyclopentadienyl titanium and zirconium complexes containing a diisopropylamide ligand. Evidence of a β-agostic interaction in (C5H5)M[N(iC3H7)2]Cl2

  摘要：

  The stoichiometric reaction of (C(5)R(5))MCl(3) or its THF adduct (R = H, Me; M = Ti, Zr) with one equivalent of [Li(N((C3H7)-C-i)(2))](n) in toluene provides a convenient method for the preparation of a series of monocyclopentadienyl Group 4 diisopropylamido complexes (C(5)R(5))M[N((C3H7)-C-i)(2)]Cl-2. The molecular structures of these four mononuclear, 14-electron complexes are characterized by a pseudotetrahedral geometry with the M-N bond distance being consistent with the presence of a double bond. The stereoelectronic influence of the replacement of the C5H5 ring in (C5H5)M[N((C3H7)-C-i)(2)]Cl-2 (M = Ti(1), Zr(3)) by the stronger pi-donating and bulkier C(5)Me(5) ring in (C(5)Me(5))M[N((C3H7)-C-i)(2)]Cl-2 (M = Ti(2), Zr(4)) is evidenced by a 10-15 degrees increase in the Cp(c)-M-N angle and by the loss of the beta-agostic interaction observed for the methine C-H bond of an isopropyl group in 1 and 3. A comparison of the structural parameters about the electrophilic metal center of 1-4 with those of related bent metallocenes is consistent with the diisopropylamido ligand being a poorer pi-donor than either the C5H5 or C(5)Me(5) ring.

  DOI：

  10.1016/0022-328x(95)00103-w