| 206121-15-5

• CAS: 206121-15-5
• 化学式: C₄H₈O*C₄H₁₀O*C₂₉H₃₀Cl₂N₃Zr*Li
• 分子量: 735.878
• InChiKey: JJQCKIPQQPIIKE-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

• 作为反应物：
  描述：

  、 lithium diphenylamide 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Triazamethylenemethane complexes of zirconium and tantalum

  摘要：

  Addition of [Li-2(THF)(4)][C(NPh)(3)] (2) to a THF solution of Cp*ZrCl3 (Cp* = C5Me5) yields, after recrystallization in Et2O, the zwitterionic species Cp*[C(NPh)(3)]ZrCl2Li(Et2O)(THF) (3). Treating 3 with excess methylaluminoxane (MAO) affords a homogeneous Ziegler-Natta catalyst for ethylene polymerization. Addition of LiNPh2 to 3 allows for Cl substitution to give the new product Cp*[C(NPh)(3)]Zr(NPh2)ClLi(THF)(2) (4). A single crystal diffraction study of 4 reveals that the [C(NPh)(3)] ligand is eta(2)-bound. The group 5 complex Cp*[C(NPh)(3)]TaMe2 (5) was prepared by addition of 2 to Cp*TaMe2Cl(OSO3CF3). The X-ray diffraction structure of 5 shows that the [C(NPh)(3)] ligand is eta(2)-bound to tantalum and that, when compared to 4, there is less electron delocalization across the inner core of [C(NPh)(3)]. (C) 1998 Elsevier Science B.V.

  DOI：

  10.1016/s1381-1169(97)00159-3
• 作为产物：
  描述：

  pentamethylcyclopentadienylzirconium(IV) trichloride 、 以 四氢呋喃 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Triazamethylenemethane complexes of zirconium and tantalum

  摘要：

  Addition of [Li-2(THF)(4)][C(NPh)(3)] (2) to a THF solution of Cp*ZrCl3 (Cp* = C5Me5) yields, after recrystallization in Et2O, the zwitterionic species Cp*[C(NPh)(3)]ZrCl2Li(Et2O)(THF) (3). Treating 3 with excess methylaluminoxane (MAO) affords a homogeneous Ziegler-Natta catalyst for ethylene polymerization. Addition of LiNPh2 to 3 allows for Cl substitution to give the new product Cp*[C(NPh)(3)]Zr(NPh2)ClLi(THF)(2) (4). A single crystal diffraction study of 4 reveals that the [C(NPh)(3)] ligand is eta(2)-bound. The group 5 complex Cp*[C(NPh)(3)]TaMe2 (5) was prepared by addition of 2 to Cp*TaMe2Cl(OSO3CF3). The X-ray diffraction structure of 5 shows that the [C(NPh)(3)] ligand is eta(2)-bound to tantalum and that, when compared to 4, there is less electron delocalization across the inner core of [C(NPh)(3)]. (C) 1998 Elsevier Science B.V.

  DOI：

  10.1016/s1381-1169(97)00159-3