| 109996-91-0

• CAS: 109996-91-0
• 化学式: C₂₄H₄₀SiZr
• 分子量: 447.891
• InChiKey: GGRPATQWUKRCOW-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：

  在 CO 作用下， 以 not given 为溶剂， 生成 (η5-C5Me5)2Zr(OC(CH2)SiMe2(CH2)CO)
  参考文献：
  名称：

  与CO插入1-sila-3-zirconacyclobutane环相关的竞争途径。分子内1,2-甲硅烷基转移和还原性CO偶联反应的观察

  摘要：

  DOI：

  10.1021/om00152a038
• 作为产物：
  描述：

  bis(pentamethylcyclopentadienyl)zirconium(IV) dichloride 、 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  与CO插入1-sila-3-zirconacyclobutane环相关的竞争途径。分子内1,2-甲硅烷基转移和还原性CO偶联反应的观察

  摘要：

  DOI：

  10.1021/om00152a038

文献信息

• Reactivity studies of the zirconium-induced insertion of isonitriles into a 1-sila-3-zirconacyclobutane ring. Structural and chemical evidence of carbenium-like intermediates for the intramolecular 1,2-silyl shift and reductive coupling reactions
  作者：Frederic J. Berg、Jeffrey L. Petersen

  DOI：10.1021/om00112a030

  日期：1989.10
• 1-Sila-3-metallacyclobutanes, precursors for the generation of highly electrophilic Group 4 metallocene alkyl cations. Spectroscopic and structural evidence of a weakly bound THF ligand in [(C5Me5)2Zr(CH2SiMe3)(THF)][BPh4]
  作者：David M. Amorose、Rip A. Lee、Jeffrey L. Petersen

  DOI：10.1021/om00053a023

  日期：1991.7

  The protonation of L(n) activated M(CH2SiMe2CH2) (L(n) = (C5H5)2, SiMe2(C5H4)2 M = Ti, Zr; L(n) = (C5Me5)2 M = Zr) with [NEt3H][BPh4] in THF produces the corresponding (trimethylsilyl)methyl-substituted metal alkyl tetraphenylborate salts [L(n)M(CH2SiMe3)(THF)[BPh4] (1-5). These complexes have been characterized by elemental analysis and H-1 and C-13 NMR measurements. The molecular structure of [Cp*2Zr-(CH2SiMe3)(THF)][BPh4] (5) has been determined by X-ray diffraction methods. Complex 5 crystallizes in space group P2(1)/a with a = 26.911 (9) angstrom, b = 13.929 (4) angstrom, c = 12.569 (4) angstrom, beta = 101.73 (2)-degrees, V = 4613 (3) angstrom 3, and Z = 4. The steric bulk of the pentamethylcyclopentadienyl ligands controls the orientation of the THF molecule, placing it nearly ''parallel'' to the equatorial plane of the metallocene wedge. Attempts to prepare the THF-free cation [Cp*2Zr(CH2SiMe3)]+ by the reaction of Cp*2 activated Zr(CH2SiMe2CH2) with [N(n-butyl)3H][BPh4] in toluene led to the isolation of the previously reported zwitterion Cp*2Zr(+)-(m-C6H4)-B(-)Ph3 (6). Compounds 1-4 (in CH2Cl2) and compound 6 (in toluene) behave as ethylene polymerization catalysts, producing high-density polyethylene (HDPE) under mild conditions in the absence of an Al cocatalyst.