(η2-4,4'-dimethylbenzophenone)zirconocene dimer | 80731-92-6

• 英文名称: (η2-4,4'-dimethylbenzophenone)zirconocene dimer
• 英文别名: (Cp2Zr(η(2)-p-tolyl ketone))2
• CAS: 80731-92-6
• 化学式: C₅₀H₄₈O₂Zr₂
• 分子量: 863.378
• InChiKey: WFZVRYHXLYWKEI-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

• 作为反应物：
  描述：

  (η2-4,4'-dimethylbenzophenone)zirconocene dimer 在 盐酸 、 silica gel 作用下， 以 乙醚 为溶剂， 以32%的产率得到二氯二茂锆
  参考文献：
  名称：

  η2benzophenonzirconocen, ein modell für das reaktionsverhalten eines metallaoxirans?

  摘要：

  DOI：

  10.1016/s0022-328x(00)82564-4
• 作为产物：
  描述：

  (η2-4-methylbenzoyl)(p-tolyl)zirconocene 以 正庚烷 为溶剂， 以83%的产率得到(η2-4,4'-dimethylbenzophenone)zirconocene dimer
  参考文献：
  名称：

  Metallaoxirane-Supported Hydrido Group 4 Metallocene Cations

  摘要：

  The (eta(2)-diaryl ketone)zirconocene dimers 17a and 17b (aryl = phenyl or p-tolyl) react with the group 4 metallocene dihydride complexes [(Cp2MH2)-Cp-R] ((Cp2M)-Cp-R = Cp2Zr, (MeCp)(2)Zr, or Cp2Hf) to yield the dimetallic compounds [mu-eta(1)-O:eta(2)-C,O-Ar2CO)ZrCp2/(H2MCp2)-Cp-R] 18a-f. These systems contain a dimetallabicyclic framework in which the two metal centers are bridged by the eta(2)-diaryl ketone ligand oxygen atom and a mu-hydride ligand. The remaining hydride ligand is trans-oriented to the mu-H moiety at the (MCp2)-Cp-R unit. The complexes 18a-c were characterized by X-ray diffraction. Treatment of the complexes 18 with B(C6F5)(3) results in the selective abstraction of the terminal hydride ligand to form the dimetallic cation complexes [(mu-eta(1)-O:eta(2)-C,O-Ar2CO)ZrCp2(mu-H)(MCp2)-Cp-R](+) 19a-f (with HB(C6F5)(3)- anion). The complexes 19 contain the intact (eta(2)-diaryl ketone)ZrCp2 unit to which a (H-(MCp2)-Cp-R)(+) cation is formally attached. They exhibit a planar dimetallabicyclic framework, in which the two group 4 metal centers are connected by means of the eta(2)-ketone oxygen atom and the mu-hydride ligand, The complexes 19a,b and e were characterized by X-ray crystal structure analyses. The complexes 19 behave chemically as adducts of the highly reactive ((Cp2M)-Cp-R-H)(+) cations with a metallaoxirane matrix. Ethene is polymerized by the systems 19 with high catalyst activities.

  DOI：

  10.1021/om980905+

文献信息

• Erker, Gerhard; Dorf, Ulrich; Czisch, Peter, Organometallics, 1986, vol. 5, # 4, p. 668 - 676
  作者：Erker, Gerhard、Dorf, Ulrich、Czisch, Peter、Petersen, Jeffrey L.

  DOI：——

  日期：——