1-(9-fluorenyl)-1-phenyl-2-(1-indenyl)ethane | 156323-19-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 1-(9-fluorenyl)-1-phenyl-2-(1-indenyl)ethane
• 英文别名: 9-[2-(1H-inden-1-yl)-1-phenylethyl]-9H-fluorene
• CAS: 156323-19-2
• 化学式: C₃₀H₂₄
• 分子量: 384.521
• InChiKey: ZRKSKOXQDZMMTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.13
• 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：

  正丁基锂 、 1-(9-fluorenyl)-1-phenyl-2-(1-indenyl)ethane 、 氯化锆(IV) 以 乙醚 、 正己烷 、 二氯甲烷 为溶剂， 生成 {1-(η5-9-fluorenyl)-1(R)-phenyl-2-(η5-1-indenyl)ethane}zirconocene dichloride 、 {1-(η5-1-indenyl)-1(R)-phenyl-2-(η5-cyclopentadienyl)ethane}zirconocene dichloride
  参考文献：
  名称：

  手性乙烯桥的不对称ansa-锆茂金属配合物：桥构型和单体浓度对丙烯聚合反应立体选择性的影响

  摘要：

  Two general synthetic routes for the preparation of ethylene-bridged ansa-zirconocene dichlorides rac-[1-(eta5-Cp1)-1-R1-2-(eta5-Cp2)-2-R2-C2H2]ZrCl2 (6a-c) bearing different cyclopentadienyl fragments [Cp1,Cp2 = Cp (cyclopentadienyl), Ind (indenyl), Flu (fluorenyl)] and a variable bridge substitution pattern (R1, R2= H, Ph) are described, using chiral epoxides as starting materials. Diastereomeric complexes were separated by crystallization. The solid-state structures of two representative examples are reported. In combination with methylalumoxane (MAO), rac-[1-(eta5-9-fluorenyl)-2-(eta5-1-indenyl)ethane]ZrCl2 (6a), carrying no bulky bridge substituent, and the diastereomeric systems rac-[1-(eta5-9-fluorenyl)-1(R,S)-phenyl-2-(eta5-1(R,S)-indenyl)ethane]ZrCl2 (6b1 = RR,SS; 6b2 = RS,SR), showing different bridge conformations, were used for propene polymerization. The stereoselectivity depends on monomer concentration for all three unsymmetric catalysts. Under comparable conditions 6a and 6b1,2 produce polypropenes with significantly different stereoregularities. This demonstrates the importance of a defined bridge conformation for the design of highly stereoselective catalysts.

  DOI：

  10.1021/om00014a041