Methanone, bis[4-[[4-(phenylthio)phenyl]ethynyl]phenyl]- | 182196-68-5

• 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: Methanone, bis[4-[[4-(phenylthio)phenyl]ethynyl]phenyl]-
• 英文别名: bis[4-[2-(4-phenylsulfanylphenyl)ethynyl]phenyl]methanone
• CAS: 182196-68-5
• 化学式: C₄₁H₂₆OS₂
• 分子量: 598.789
• InChiKey: APKRFDAAQZYADH-UHFFFAOYSA-N

物化性质

• 沸点：
  787.9±60.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  44
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methanone, bis[4-[[4-(phenylthio)phenyl]ethynyl]phenyl]- 在 碘 、 二甲基亚砜 作用下， 以89%的产率得到1-[4-(4-{Oxo[4-(phenylthio)phenyl]acetyl}benzoyl)phenyl]-2-[4-(phenylthio)phenyl]-1,2-ethanedione
  参考文献：
  名称：

  Synthesis of new 4,4?-bis(arylethynyl)benzophenones and 4,4?-bis(arylglyoxalyl)benzophenones based on chloral

  摘要：

  4,4'-Diiodobenzophenone was obtained by a three-stage synthesis from chloral and iodobenzene. 4,4'-Bis(arylethynyl)benzophenones were synthesized by cross-coupling of 4,4'-diiodobenzophenone with terminal arylethynes in the presence of a complex Pd catalyst; further oxidation of rile products obtained in an iodine/DMSO medium afforded new bis(arylglyoxalyl)benzophenones.

  DOI：

  10.1007/bf01435794
• 作为产物：
  描述：

  双(4-碘苯基)甲酮 、 1-Ethynyl-4-phenylsulfanyl-benzene 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以89%的产率得到Methanone, bis[4-[[4-(phenylthio)phenyl]ethynyl]phenyl]-
  参考文献：
  名称：

  Synthesis of new 4,4?-bis(arylethynyl)benzophenones and 4,4?-bis(arylglyoxalyl)benzophenones based on chloral

  摘要：

  4,4'-Diiodobenzophenone was obtained by a three-stage synthesis from chloral and iodobenzene. 4,4'-Bis(arylethynyl)benzophenones were synthesized by cross-coupling of 4,4'-diiodobenzophenone with terminal arylethynes in the presence of a complex Pd catalyst; further oxidation of rile products obtained in an iodine/DMSO medium afforded new bis(arylglyoxalyl)benzophenones.

  DOI：

  10.1007/bf01435794

文献信息

• Synthesis of new 4,4?-bis(arylethynyl)benzophenones and 4,4?-bis(arylglyoxalyl)benzophenones based on chloral
  作者：M. L. Keshtov、N. M. Belomoina、T. M. Kazieva、A. L. Rusanov、A. K. Mikitaev

  DOI：10.1007/bf01435794

  日期：1996.3

  4,4'-Diiodobenzophenone was obtained by a three-stage synthesis from chloral and iodobenzene. 4,4'-Bis(arylethynyl)benzophenones were synthesized by cross-coupling of 4,4'-diiodobenzophenone with terminal arylethynes in the presence of a complex Pd catalyst; further oxidation of rile products obtained in an iodine/DMSO medium afforded new bis(arylglyoxalyl)benzophenones.