diphenylmethylene(3-tert-butyl-5-methylcyclopentadienyl)(2,7-di-tert-butylfluorenyl)zirconium(IV) dichloride | 773081-83-7

• 英文名称: diphenylmethylene(3-tert-butyl-5-methylcyclopentadienyl)(2,7-di-tert-butylfluorenyl)zirconium(IV) dichloride
• 英文别名: {Ph₂C(2,7-tBu₂-Flu)(2-Me-4-tBu-Cp)}ZrCl₂；diphenylmethylene(3-tert-butyl-5-methylcyclopentadienyl)(2,7-di-tert-butylfluorenyl) zirconium dichloride
• CAS: 773081-83-7
• 化学式: C₄₄H₄₈Cl₂Zr
• 分子量: 738.995
• InChiKey: BRBJWAVCEOJKKL-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：

  diphenylmethylene(3-tert-butyl-5-methylcyclopentadienyl)(2,7-di-tert-butylfluorenyl)zirconium(IV) dichloride 、 甲基溴化镁 以 乙醚 、 甲苯 为溶剂， 反应 2.0h， 以87%的产率得到{Ph₂C(2,7-tBu₂-Flu)(2-Me-4-tBu-Cp)}ZrMe₂
  参考文献：
  名称：

  Zirconocene-Catalyzed Polymerization of α-Olefins: When Intrinsic Higher Activity Is Flawed by Rapid Deactivation

  摘要：

  Kinetic studies of homogeneous 1-hexene polymerization have been used for determining the propagation rates and active sites concentrations of industrially relevant zirconocene catalytic systems incorporating {SBI}- and {Cp/Flu}- ancillaries: {rac-Me2Si(2-Me-Benz[e]Ind)(2)}ZrCl2 ({SBI}-1), {rac-Me2Si(2-Me-4-Ph-Ind)(2)}ZrCl2 ({SBI}-2), {Me2C(3,6-tBu(2)-Flu)(2-Me-4-tBu-Cp)}ZrCl2 ({Cp/Flu}-1), {Ph(H)C(3,6-tBu(2)-Flu)(2-Et-4-tBu-Cp)}ZrCl2 ({Cp/Flu}-2), {Ph2C(2,7-tBu(2)-Flu)(2-Me-4-tBu-Cp)}ZrCl2 ({Cp/Flu}-3), {Ph(H)C-(2,7-tBu(2)-Flu)(2-Me-4-tBu-Cp)}ZrCl2 ({Cp/Flu}-4). The influence of different activation parameters, such as aging time and nature of coactivator (MAO vs boraluminoxane), has been investigated. It was found that the activation efficiency of {Cp/Flu}-type precatalysts by MAO is similar (1-12% at 30 degrees C) to that of the {SBI}-type precatalysts (4-18%). Moreover, the propagation rates for the {Cp/Flu}-based systems appeared to be superior to those obtained with the {SBI}-type congeners. Deactivation processes, arising from monomer 2,1-misinsertions and resulting in dormant M-sec-alkyl species, were demonstrated to occur for both types of catalytic systems. While the {SBI}-type systems are capable to undergo further regular 1,2-insertions of 1-hexene into the M-sec-alkyl (or undergo regeneration of an active species through beta-H elimination), the {Cp/Flu}-type congeners are apparently reluctant to further enchainement; this is proposed to account for the observed overall lower productivity of the latter {Cp/Flu}-type systems. Dormant M-sec-alkyl species with the {Cp/Flu} ancillaries can be efficiently reactivated by introduction of small molecules (H-2 or ethylene).

  DOI：

  10.1021/acs.organomet.9b00253
• 作为产物：
  描述：

  (3-tert-butyl-5-methylcyclopentadienyl)(2,7-di-tert-butylfluorenyl)diphenyl methane 、 氯化锆(IV) 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 48.0h， 以22%的产率得到diphenylmethylene(3-tert-butyl-5-methylcyclopentadienyl)(2,7-di-tert-butylfluorenyl)zirconium(IV) dichloride
  参考文献：
  名称：

  PROPYLENE COPOLYMER, POLYPROPYLENE COMPOSITION AND USES THEREOF, TRANSITION METAL COMPOUND AND OLEFIN POLYMERIZATION CATALYST

  摘要：

  一个以以下公式（2a）表示的过渡金属化合物：

  公开号：

  US20080312461A1