1,2,3,4,5-Penta(4'-n-pentyl-1-biphenyl-4-yl)-1,3-cyclopentadiene

• 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: 1,2,3,4,5-Penta(4'-n-pentyl-1-biphenyl-4-yl)-1,3-cyclopentadiene
• 英文别名: 1-Pentyl-4-[4-[2,3,4,5-tetrakis[4-(4-pentylphenyl)phenyl]cyclopenta-1,4-dien-1-yl]phenyl]benzene；1-pentyl-4-[4-[2,3,4,5-tetrakis[4-(4-pentylphenyl)phenyl]cyclopenta-1,4-dien-1-yl]phenyl]benzene
• 化学式: C₉₀H₉₆
• 分子量: 1177.75
• InChiKey: RVSVDDHMWAEFPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  28.3
• 重原子数：
  90
• 可旋转键数：
  30
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  对溴戊基联苯 、 环戊二烯 在 palladium diacetate 三叔丁基膦 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以72%的产率得到1,2,3,4,5-Penta(4'-n-pentyl-1-biphenyl-4-yl)-1,3-cyclopentadiene
  参考文献：
  名称：

  Palladium-Catalyzed Arylation of Cyclopentadienes

  摘要：

  Cyclopentadiene and metallocenes, typically zirconocene dichloride, are suitable substrates for multiple arylations with aryl bromides in palladium-catalyzed reactions. Thus, various aryl bromides bearing either an electron-donating or an electron-withdrawing substituent can react with these substrates to afford the corresponding 1,2,3,4,5-pentaaryl-13-cyclopentadienes in a single preparative step. Derivatives of cyclopentadiene. including di- and trisubstituted cyclopentadienes. and indene are arylated in a similar fashion.

  DOI：

  10.1002/1521-3765(20000915)6:18<3426::aid-chem3426>3.0.co;2-b

文献信息

• Palladium-Catalyzed Arylation of Cyclopentadienes
  作者：Gerald Dyker、Jörg Heiermann、Masahiro Miura、Jun-Ichi Inoh、Sommai Pivsa-Art、Tetsuya Satoh、Masakatsu Nomura

  DOI：10.1002/1521-3765(20000915)6:18<3426::aid-chem3426>3.0.co;2-b

  日期：2000.9.15

  Cyclopentadiene and metallocenes, typically zirconocene dichloride, are suitable substrates for multiple arylations with aryl bromides in palladium-catalyzed reactions. Thus, various aryl bromides bearing either an electron-donating or an electron-withdrawing substituent can react with these substrates to afford the corresponding 1,2,3,4,5-pentaaryl-13-cyclopentadienes in a single preparative step. Derivatives of cyclopentadiene. including di- and trisubstituted cyclopentadienes. and indene are arylated in a similar fashion.