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(Cp-t-Bu)2ZrClMe | 159666-79-2

中文名称
——
中文别名
——
英文名称
(Cp-t-Bu)2ZrClMe
英文别名
——
(Cp-t-Bu)2ZrClMe化学式
CAS
159666-79-2
化学式
C19H29ClZr
mdl
——
分子量
384.116
InChiKey
KKDVVSANWMHYNO-UHFFFAOYSA-M
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

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:
    (Cp-t-Bu)2ZrClMe甲苄基溴 在 Li 作用下, 以 乙醚 为溶剂, 以28%的产率得到
    参考文献:
    名称:
    Legrand, Corinne; Meunier, Philippe; Petersen, Jeffrey L., Organometallics, 1995, vol. 14, # 1, p. 162 - 169
    摘要:
    DOI:
  • 作为产物:
    描述:
    bis(tert-butylcyclopentadienyl)zirconium dichloride 、 三甲基铝氘代甲苯 为溶剂, 生成 (Cp-t-Bu)2ZrClMe
    参考文献:
    名称:
    1H-, 13C-NMR and ethylene polymerization studies of zirconocene/MAO catalysts: effect of the ligand structure on the formation of active intermediates and polymerization kinetics
    摘要:
    Using H-1- and C-13-NMR spectroscopies, cationic intermediates formed by activation of L2ZrCl2 with methylaluminoxane (MAO) in toluene were monitored at Al/Zr ratios from 50 to 1000 (L-2 are various cyclopentadienyl (Cp), indenyl (Ind) and fluorenyl (Flu) ligands). The following catalysts were studied: (Cp-R)(2)ZrCl2 (R = Me, 1,2-Me2, 1,2,3-Me-3, 1,2,4-Me-3, Me-4, Me-5, n-Bu, t-Bu), rac-ethanediyl(Ind)(2)ZrCl2, rac-Me2Si(Ind)(2)ZrCl2, rac-Me2Si(1-Ind-2-Me)(2)ZrCl2, rac-ethanediyl(1-Ind-4,5,6,7-H-4)(2)ZrCl2, (Ind-2Me)(2)ZrCl2, Me2C(CP)(Flu)ZrCl2, Me2C(Cp-3-Me)(Flu)ZrCl2 and Me2Si(Flu)(2)ZrCl2- Correlations between spectroscopic and ethene polymerization data for catalysts (Cp-R)(2)ZrCl2/MAO (R = H, Me, 1,2-Me-2, 1,2,3-Me-3, 1,2,4-Me-3, Me-4, Me-5, n -Bu, t-Bu) and rac-Me2Si(Ind)(2)ZrCl2 were established. The catalysts (Cp-R)(2)ZrCl2/AlMe3/CPh3+B(C6F5)(4)(-) (R= Me, 1,2-Me-2, 1,2,3-Me-3, 1,2,4-Me-3, Me-4, n -Bu, t -Bu) were also studied for comparison of spectroscopic and polymerization data with MAO-based systems. Complexes of type (Cp-R)(2)ZrMe+ <-- Me- -Al equivalent to MAO (IV) with different [Me-MAO](-) counteranions have been identified in the (Cp-R)(2)ZrCl2/MAO (R = H-Bu, t-Bu) systems at low Al/Zr ratios (50-200). At Al/Zr ratios of 500-1000, the complex [L2Zr(mu-Me)(2)AlMe2](+)[Me-MAO](-) (HI) dominates in all MAO-based reaction systems studied. Ethene polymerization activity strongly depends on the Al/Zr ratio (Al/Zr = 200 - 1000) for the systems (Cp-R)(2)ZrCl2/MAO (R = H, Me, n -Bu, t -Bu), while it is virtually constant in the same range of Al/Zr ratios for the catalytic systems (Cp-R)(2)ZrCl2/MAO (R = 1,2-Me-2, 1,2,3-Me-3, 1,2,4-Me-3, Me-4) and rac-Me2Si(Ind)(2)ZrCl2/MAO. The data obtained are interpreted on assumption that complex III is the main precursor of the active centers of polymerization in MAO-based systems. (C) 2003 Elsevier Science B.V. All rights reserved.
    DOI:
    10.1016/s0022-328x(03)00443-1
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文献信息

  • Alkyl exchange between aluminum trialkyls and zirconocene dichloride complexes — a measure of electron densities at the Zr center
    作者:Stefan Beck、Hans H. Brintzinger
    DOI:10.1016/s0020-1693(97)05871-4
    日期:1998.4
    Equilibrium constants have been determined for the formation of 15 different zirconocene monomethyl monochloro complexes from the respective dichloride complexes and Al-2(CH3)(6). The results indicate chat the tendency of a particular zirconocene complex to exchange a chloride against a methyl ligand is a measure for the electron deficiency at its Zr center. The results indicate particularly low electron densities for complexes with indenyl instead of cyclopentadienyl ligands, especially for those containing a dimethylsilyl bridge. Only one methyl group is transferred to a zirconocene dichloride even by a large excess of Al-2(CH3)(6), while the uptake of two alkyl groups, followed by alkane evolution, is observed with triethyl and triisobutyl aluminum. (C) 1998 Elsevier Science S.A.
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