2,7-bis(2,6-dimethylphenyl)-9-[1-(inden-3-yl)-1-methylethyl]fluorene | 578766-04-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮
• 英文名称: 2,7-bis(2,6-dimethylphenyl)-9-[1-(inden-3-yl)-1-methylethyl]fluorene
• 英文别名: 2,7-bis(2,6-dimethylphenyl)-9-[2-(3H-inden-1-yl)propan-2-yl]-9H-fluorene
• CAS: 578766-04-8
• 化学式: C₄₁H₃₈
• 分子量: 530.753
• InChiKey: JUPCUFMILBJLAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  41
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2,7-bis(2,6-dimethylphenyl)-9-[1-(inden-3-yl)-1-methylethyl]fluorene 、 氯化锆(IV) 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 以13.4%的产率得到dichloro[η5-1-indenyl(1-methylethylidene)-(2,7-bis-(2,6-dimethylphenyl)-η5-9-fluorenyl)]zirconium
  参考文献：
  名称：

  Novel C1 symmetric zirconocenes containing substituted fluorenyl moieties for the polymerization of olefins

  摘要：

  The synthesis and polymerization behavior of four new asymmetric ansa-metallocenes containing a 2,7-disubstituted fluorenyl moiety and an indenyl moiety is reported. Three of the four catalysts, dichloro[eta(5)-1-indenyl(1-methylethylidene)-[2,7-bis-(2,4,6-trimethylphenyl)-eta(5)-9-fluorenyl]zirconium (11), dichloro[eta(5)-1-indenyl(I-methylethylidene)-[2,7-bis-(2,6-dimethylphenyl)-eta(5)-9-fluorenyl]zirconium (12), and dichloro[eta(5)-1-indenyl(l-methylethylidene)-[2,7-bis-(2-methylphenyl)-eta(5)-9-fluorenyl] zirconium (13) were highly active for the polymerization of both ethylene and propylene when activated with excess methylaluminoxane (MAO). Dichloro[eta(5)-1-indenyl(1-methylethylidene)-[2,7-dibenzyl-eta(5)-9-fluorenyl]zirconium (14) was poorly active for the polymerization of ethylene and was therefore not evaluated as a propylene catalyst. The activities for propylene polymerizations with catalysts 11 - 13 increased as the size of the substituents around the ligand framework increased, following the trend 11 > 12 > 13. Molecular weights of the polypropylenes decreased as the temperature was increased. The molecular weight data follows the same trend (11 > 12 > 13) as the activity data, wherein the largest substituents gave rise to the highest molecular weights. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00239-0