hexakis(4-benzoylphenyl)benzene

• 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: hexakis(4-benzoylphenyl)benzene
• 英文别名: [4-[2,3,4,5,6-pentakis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone
• 化学式: C₈₄H₅₄O₆
• 分子量: 1159.35
• InChiKey: OSEKLVCMSXOAOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.7
• 重原子数：
  90
• 可旋转键数：
  18
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  二苯基甲烷 、 hexakis(4-benzoylphenyl)benzene 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 3.5h， 生成
  参考文献：
  名称：

  Hopping of a Single Hole in hexakis[4-(1,1,2-Triphenyl-ethenyl)phenyl]benzene Cation Radical through the Hexaphenylbenzene Propeller

  摘要：

  A versatile synthesis of a dendritic structure (5) is described in which six tetraphenylethylene moieties are connected to a central benzene ring in such a way that one of the phenyl rings of each tetraphenylethylene is also part of the propeller of the hexaphenylbenzene core. Observation of multiple oxidation waves in its cyclovoltammogram as well as an intense charge-resonance transition in the near-IR region in its cation radical spectrum suggests that a single hole delocalizes via electron transfer over six identical redox-active centers.

  DOI：

  10.1021/ol036037g
• 作为产物：
  描述：

  bis(4-benzoylphenyl)acetylene 在 dicobalt octacarbonyl 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 以73%的产率得到hexakis(4-benzoylphenyl)benzene
  参考文献：
  名称：

  利用六苯基苯和四苯基甲烷支架合成和分离聚三苯甲基阳离子

  摘要：

  基于六苯基苯和四苯基甲烷支架成功地分离出稳定的（和可溶的）六-和四-三苯甲基阳离子已经通过使用容易获得的起始原料完成。这些坚固的聚三苯甲基阳离子可以结晶形式分离，并可以在0°C下无限期保存。它们的结构已通过1 H / 13 C NMR光谱和UV-vis光谱确定。这些聚三苯甲基阳离子的结构通过从三乙基硅烷，环庚三烯或硼烷-二甲基硫醚络合物的氢化物转移进行定量转化为还原的（聚）三苯甲基衍生物而得到进一步证实。

  DOI：

  10.1021/jo035598i

文献信息

• Synthesis and Isolation of Polytrityl Cations by Utilizing Hexaphenylbenzene and Tetraphenylmethane Scaffolds
  作者：Rajendra Rathore、Carrie L. Burns、Ilia A. Guzei

  DOI：10.1021/jo035598i

  日期：2004.3.1

  The successful isolation of stable (and soluble) hexa- and tetratrityl cations based on hexaphenylbenzene and tetraphenylmethane scaffold has been accomplished by using readily available starting materials. These robust polytrityl cations can be isolated in crystalline form and stored indefinitely at 0 °C. Their structures have been established by 1H/13C NMR spectroscopy and by UV−vis spectroscopy

  基于六苯基苯和四苯基甲烷支架成功地分离出稳定的（和可溶的）六-和四-三苯甲基阳离子已经通过使用容易获得的起始原料完成。这些坚固的聚三苯甲基阳离子可以结晶形式分离，并可以在0°C下无限期保存。它们的结构已通过1 H / 13 C NMR光谱和UV-vis光谱确定。这些聚三苯甲基阳离子的结构通过从三乙基硅烷，环庚三烯或硼烷-二甲基硫醚络合物的氢化物转移进行定量转化为还原的（聚）三苯甲基衍生物而得到进一步证实。
• Hopping of a Single Hole in <i>hexakis</i>[4-(1,1,2-Triphenyl-ethenyl)phenyl]benzene Cation Radical through the Hexaphenylbenzene Propeller
  作者：Rajendra Rathore、Carrie L. Burns、Sameh A. Abdelwahed

  DOI：10.1021/ol036037g

  日期：2004.5.1

  A versatile synthesis of a dendritic structure (5) is described in which six tetraphenylethylene moieties are connected to a central benzene ring in such a way that one of the phenyl rings of each tetraphenylethylene is also part of the propeller of the hexaphenylbenzene core. Observation of multiple oxidation waves in its cyclovoltammogram as well as an intense charge-resonance transition in the near-IR region in its cation radical spectrum suggests that a single hole delocalizes via electron transfer over six identical redox-active centers.