1-(4-bromophenyl)-4-(4-tert-butylphenyl)-2,6-bis(4-(3-tri-methylsilylphenyl)phenyl)benzene | 1609257-11-5

• 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-(4-bromophenyl)-4-(4-tert-butylphenyl)-2,6-bis(4-(3-tri-methylsilylphenyl)phenyl)benzene
• 英文别名: [3-[4-[2-(4-Bromophenyl)-5-(4-tert-butylphenyl)-3-[4-(3-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane；[3-[4-[2-(4-bromophenyl)-5-(4-tert-butylphenyl)-3-[4-(3-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
• CAS: 1609257-11-5
• 化学式: C₅₂H₅₃BrSi₂
• 分子量: 814.068
• InChiKey: YMTCPYICAFRAJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.84
• 重原子数：
  55
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.19
• 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：

  1-(4-bromophenyl)-4-(4-tert-butylphenyl)-2,6-bis(4-(3-tri-methylsilylphenyl)phenyl)benzene 在 一氯化碘 作用下， 以 氯仿 为溶剂， 反应 1.5h， 以95%的产率得到1-(4-bromophenyl)-4-(4-tert-butylphenyl)-2,6-bis(4-(3-iodophenyl)phenyl)benzene
  参考文献：
  名称：

  Preferential oxidative addition in mixed iodo/bromo quinquephenylenes

  摘要：

  A Suzuki reaction of a diiodo monobromo quinquephenylene with an aryl boronic acid is described. With PEPPSI-IPr as catalyst the threefold coupling product is mainly obtained although only two equivalents of the boronic acid are used. This shows that the intramolecular palladium transfer is favored over the common iodo/bromo selectivity. Performing the reaction with other Pd systems shows that the product distribution is strongly catalyst dependent. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.04.001
• 作为产物：
  描述：

  4-bromo-4"-t-butyl-2',6'-bis(p-iodophenyl)-[1,1':4',1"]terphenyl 、 3-(三甲基硅烷基)苯硼酸 在 potassium phosphate 、 tris-(dibenzylideneacetone)dipalladium(0) 、 三叔丁基膦 作用下， 以 四氢呋喃 为溶剂， 反应 96.0h， 以22%的产率得到1-(4-tert-butylphenyl)-3,4,5-tris(4-(3-trimethylsilylphenyl)phenyl)benzene
  参考文献：
  名称：

  Preferential oxidative addition in mixed iodo/bromo quinquephenylenes

  摘要：

  A Suzuki reaction of a diiodo monobromo quinquephenylene with an aryl boronic acid is described. With PEPPSI-IPr as catalyst the threefold coupling product is mainly obtained although only two equivalents of the boronic acid are used. This shows that the intramolecular palladium transfer is favored over the common iodo/bromo selectivity. Performing the reaction with other Pd systems shows that the product distribution is strongly catalyst dependent. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.04.001

文献信息

• Preferential oxidative addition in mixed iodo/bromo quinquephenylenes
  作者：Daniela Schmitz、Sigurd Höger

  DOI：10.1016/j.tet.2014.04.001

  日期：2014.6

  A Suzuki reaction of a diiodo monobromo quinquephenylene with an aryl boronic acid is described. With PEPPSI-IPr as catalyst the threefold coupling product is mainly obtained although only two equivalents of the boronic acid are used. This shows that the intramolecular palladium transfer is favored over the common iodo/bromo selectivity. Performing the reaction with other Pd systems shows that the product distribution is strongly catalyst dependent. (C) 2014 Elsevier Ltd. All rights reserved.