9-[1,3-cyclopentadien-1-yl-bis(4-methylphenyl)methyl]-2,7-bis(1,1-dimethylethyl)-9H-fluorene

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 9-[1,3-cyclopentadien-1-yl-bis(4-methylphenyl)methyl]-2,7-bis(1,1-dimethylethyl)-9H-fluorene
• 英文别名: (2,7-di-tert-butylfluorenyl)cyclopentadienyl di-p-tolyl methane；2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl-bis(4-methylphenyl)methyl]-9H-fluorene
• 化学式: C₄₁H₄₄
• 分子量: 536.8
• InChiKey: JSEDFRMIHOKHLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.3
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 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：

  zirconium tetrachloride bis(tetrahydrofuran) complex 、 9-[1,3-cyclopentadien-1-yl-bis(4-methylphenyl)methyl]-2,7-bis(1,1-dimethylethyl)-9H-fluorene 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 89.0h， 以85.6%的产率得到di(p-tolyl)methylene(η ⁵-cyclopentadienyl){η ⁵-(2,7-di-tert-butylfluorenyl)}zirconium dichloride
  参考文献：
  名称：

  CROSSLINKED METALLOCENE COMPOUND FOR OLEFIN POLYMERIZATION AND METHOD OF POLYMERIZING OLEFIN WITH THE SAME

  摘要：

  公开号：

  EP1548018B1
• 作为产物：
  描述：

  4,4'-二甲基二苯甲酮 在 甲醇 、 正丁基锂 、 sodium 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 生成 9-[1,3-cyclopentadien-1-yl-bis(4-methylphenyl)methyl]-2,7-bis(1,1-dimethylethyl)-9H-fluorene
  参考文献：
  名称：

  Cs-symmetric hafnocene complexes for synthesis of syndiotactic polypropene

  摘要：

  Three new C-s-symmetric ansa-hafnocene complexes such as dichloro[eta(10)-2,4-cyclopentadienyl-1-ylidenebis(4-methyldiphenylmethylen)[2,7-bis(1,1-di-methylethyl)-9H-fluorene-9-ylidene]]hafnium (2) were synthesized which produce partiell syndiotactic polypropylenes with very high molecular weights. The influence of the methyl and methoxy substitution in the bridge was studied on the activity, tacticity, and molar mass. The hafhocene-MAO catalysts (1-4) were active up to polymerisation temperatures of 90 degreesC and produces 55 000 kg polymer in 1 h by 1 mol of hafnocene. The molecular weight of the obtained elastic polypropylene reaches 2.2 million g mol(-1). (C) 2003 Published by Elsevier B.V.

  DOI：

  10.1016/s0022-328x(03)00731-9

文献信息

• CROSSLINKED METALLOCENE COMPOUND FOR OLEFIN POLYMERIZATION AND METHOD OF POLYMERIZING OLEFIN WITH THE SAME
  申请人：Mitsui Chemicals, Inc.

  公开号：EP1548018B1

  公开（公告）日：2018-10-10
• Cs-symmetric hafnocene complexes for synthesis of syndiotactic polypropene
  作者：Walter Kaminsky、Andreas Hopf、Christian Piel

  DOI：10.1016/s0022-328x(03)00731-9

  日期：2003.11

  Three new C-s-symmetric ansa-hafnocene complexes such as dichloro[eta(10)-2,4-cyclopentadienyl-1-ylidenebis(4-methyldiphenylmethylen)[2,7-bis(1,1-di-methylethyl)-9H-fluorene-9-ylidene]]hafnium (2) were synthesized which produce partiell syndiotactic polypropylenes with very high molecular weights. The influence of the methyl and methoxy substitution in the bridge was studied on the activity, tacticity, and molar mass. The hafhocene-MAO catalysts (1-4) were active up to polymerisation temperatures of 90 degreesC and produces 55 000 kg polymer in 1 h by 1 mol of hafnocene. The molecular weight of the obtained elastic polypropylene reaches 2.2 million g mol(-1). (C) 2003 Published by Elsevier B.V.