pentaphenyl-(4-benzoylphenyl)benzene | 701915-34-6

• 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: pentaphenyl-(4-benzoylphenyl)benzene
• 英文别名: (4-benzoylphenyl)pentaphenylbenzene；monobenzoyl-hexaphenylbenzene；[4-(2,3,4,5,6-Pentakis-phenylphenyl)phenyl]-phenylmethanone
• CAS: 701915-34-6
• 化学式: C₄₉H₃₄O
• 分子量: 638.808
• InChiKey: KRZYBFSUGRIBQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13
• 重原子数：
  50
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  乙炔基溴化镁 、 pentaphenyl-(4-benzoylphenyl)benzene 以 四氢呋喃 为溶剂， 反应 16.0h， 以100%的产率得到1-phenyl-1-(3',4',5',6'-tetraphenyl-[1,1':2',1''-terphenyl]-4-yl)prop-2-yn-1-ol
  参考文献：
  名称：

  六苯基苯酰化合成[5]枯烯

  摘要：

  六苯基苯附加到 [5] cumulenes 上，这是一种 sp- 和 sp 2 -碳结构单元的结合，用于合成同素异形体。

  DOI：

  10.1002/ejoc.202101467
• 作为产物：
  描述：

  4-溴苯甲酰苯 在 copper(l) iodide 哌啶 、 bis-triphenylphosphine-palladium(II) chloride 、 三苯基膦 作用下， 以 乙腈 为溶剂， 反应 24.0h， 生成 pentaphenyl-(4-benzoylphenyl)benzene
  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

文献信息

• Practical Synthesis of Unsymmetrical Tetraarylethylenes and Their Application for the Preparation of [Triphenylethylene−Spacer−Triphenylethylene] Triads
  作者：Moloy Banerjee、Susanna J. Emond、Sergey V. Lindeman、Rajendra Rathore

  DOI：10.1021/jo701474y

  日期：2007.10.1

  [GRAPHICS]We have demonstrated that reactions of diphenylmethyllithium with a variety of substituted benzophenones produces corresponding tertiary alcohols that are easily dehydrated, without any need for purification, to produce various unsymmetrical and symmetrical tetraarylethylenes in excellent yields. The simplicity of the method allows for the preparation of a variety of ethylenic derivatives in multigram (10-50 g) quantities with great ease. The methodology was successfully employed for the preparation of various triphenylethylene (TPE)-based triads (i.e., TPE-spacer-TPE) containing polyphenylene and fluoranyl-based spacers. The ready availability of various substituted tetraarylethylenes allowed us to shed light on the effect of substituents on the oxidation potentials (E-ox) of various tetraarylethylenes. Moreover, the electronic coupling among the triphenylethylene moieties in various TPE-spacer-TPE triads was briefly probed by electrochemical and optical methods.