bis[1,2-(7,9-diphenylcyclopenta[a]acenaphthadienyl)-1-phenyl]ethane | 201358-30-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: bis[1,2-(7,9-diphenylcyclopenta[a]acenaphthadienyl)-1-phenyl]ethane
• 英文别名: 8-[2-(7,9-diphenyl-8H-cyclopenta[a]acenaphthylen-8-yl)-1-phenylethyl]-7,9-diphenyl-8H-cyclopenta[a]acenaphthylene
• CAS: 201358-30-7
• 化学式: C₆₂H₄₂
• 分子量: 787.015
• InChiKey: SJZRNUOJOFHPLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.5
• 重原子数：
  62
• 可旋转键数：
  8
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.06
• 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 、 bis[1,2-(7,9-diphenylcyclopenta[a]acenaphthadienyl)-1-phenyl]ethane 在 n-BuLi 作用下， 以 四氢呋喃 为溶剂， 以14%的产率得到[bis[1,2-(η(5)-7,9-diphenylcyclopenta[a]acenaphthadienyl)-1-phenyl]ethane]zirconium dichloride
  参考文献：
  名称：

  Metallocene dichlorides bearing acenaphthyl substituted cyclopentadienyl rings: preparation and polymerization behavior

  摘要：

  The unbridged complex [bis(eta(5)-7,9-diphenylcyclopenta[a]acenaphthadienyl)] zirconium dichloride (8) and two asymmetric ethylene bridged metallocenes {bis[1,2-(eta(5)-7,9-diphenylcyclopenta[a]acenaphthadienyl)-1-phenyl] ethane} zirconium dichloride (9) and {[1-(eta(5)-7,9-diphenylcyclopenta[a]acenaphthadienyl)-2-phenyl-2-(eta(5)-9-fluorenyl)] ethane} zirconium dichloride (10) were prepared and used as catalysts for ethene and propene homopolymerization after activation with MAO. Whereas zirconocenes 8 and 9, that bear two acenaphthyl substituted Cp-rings, have only moderate activity, 10 produces polyethene with high activity and high molecular weight. Ln propene polymerization only atactic polymer was formed and the chain termination occurred mainly via P-methyl elimination. The solid state structures of compounds 8, 9 and 10 were determined by means of X-ray diffraction analysis. (C) 1997 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00524-x
• 作为产物：
  描述：

  7,9-diphenylcyclopenta[a]acenaphthadiene 、 spiro[(7,9-diphenylcyclopenta[a]acenaphthadiene)-8,1'-(2'-phenylcyclopropane)] 在 正丁基锂 作用下， 以32%的产率得到bis[1,2-(7,9-diphenylcyclopenta[a]acenaphthadienyl)-1-phenyl]ethane
  参考文献：
  名称：

  Metallocene dichlorides bearing acenaphthyl substituted cyclopentadienyl rings: preparation and polymerization behavior

  摘要：

  The unbridged complex [bis(eta(5)-7,9-diphenylcyclopenta[a]acenaphthadienyl)] zirconium dichloride (8) and two asymmetric ethylene bridged metallocenes {bis[1,2-(eta(5)-7,9-diphenylcyclopenta[a]acenaphthadienyl)-1-phenyl] ethane} zirconium dichloride (9) and {[1-(eta(5)-7,9-diphenylcyclopenta[a]acenaphthadienyl)-2-phenyl-2-(eta(5)-9-fluorenyl)] ethane} zirconium dichloride (10) were prepared and used as catalysts for ethene and propene homopolymerization after activation with MAO. Whereas zirconocenes 8 and 9, that bear two acenaphthyl substituted Cp-rings, have only moderate activity, 10 produces polyethene with high activity and high molecular weight. Ln propene polymerization only atactic polymer was formed and the chain termination occurred mainly via P-methyl elimination. The solid state structures of compounds 8, 9 and 10 were determined by means of X-ray diffraction analysis. (C) 1997 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00524-x

文献信息

• Metallocene dichlorides bearing acenaphthyl substituted cyclopentadienyl rings: preparation and polymerization behavior
  作者：Timo Repo、Gerhard Jany、Kimmo Hakala、Martti Klinga、Mika Polamo、Markku Leskelä、Bernhard Rieger

  DOI：10.1016/s0022-328x(97)00524-x

  日期：1997.12

  The unbridged complex [bis(eta(5)-7,9-diphenylcyclopenta[a]acenaphthadienyl)] zirconium dichloride (8) and two asymmetric ethylene bridged metallocenes bis[1,2-(eta(5)-7,9-diphenylcyclopenta[a]acenaphthadienyl)-1-phenyl] ethane} zirconium dichloride (9) and [1-(eta(5)-7,9-diphenylcyclopenta[a]acenaphthadienyl)-2-phenyl-2-(eta(5)-9-fluorenyl)] ethane} zirconium dichloride (10) were prepared and used as catalysts for ethene and propene homopolymerization after activation with MAO. Whereas zirconocenes 8 and 9, that bear two acenaphthyl substituted Cp-rings, have only moderate activity, 10 produces polyethene with high activity and high molecular weight. Ln propene polymerization only atactic polymer was formed and the chain termination occurred mainly via P-methyl elimination. The solid state structures of compounds 8, 9 and 10 were determined by means of X-ray diffraction analysis. (C) 1997 Elsevier Science S.A.