2,2'-(propane-1,3-diyl)bis(anthracene-9,10-dione) | 132101-12-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 2,2'-(propane-1,3-diyl)bis(anthracene-9,10-dione)
• 英文别名: 1,3-di(2'-anthraquinoyl)propane
• CAS: 132101-12-3
• 化学式: C₃₁H₂₀O₄
• 分子量: 456.497
• InChiKey: YGCSTXJRYKHRLP-UHFFFAOYSA-N

物化性质

• 沸点：
  687.4±55.0 °C(Predicted)
• 密度：
  1.347±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.41
• 重原子数：
  35.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  68.28
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2,2'-(propane-1,3-diyl)bis(anthracene-9,10-dione) 在 Al(c-C6H11O)3 、 环己醇 作用下， 反应 72.0h， 以47%的产率得到2-(3-蒽-2-基丙基)蒽
  参考文献：
  名称：

  Ions derived from dianthrylethane species. How the mode of linking affects the intramolecular electron transfer

  摘要：

  Chemical and electrochemical reduction of dianthryl compounds affords mono-, di, tri-, and tetraanions via successive electron-transfer processes. The diamagnetic or paramagnetic ions are characterized by NMR and ESR spectroscopy, respectively, by cyclic voltammetry, and by quenching reactions. The title dianthryl systems have in common that two anthracene units are linked by ethane bridges in a sterically variable fashion. It appears that the mode of linking drastically affects the rate of intramolecular electron-transfer processes in radical monoanions as well as the charge-storage behavior.

  DOI：

  10.1021/ja00004a009
• 作为产物：
  描述：

  二苄基甲酮 在 氢氧化钾 、 三氯化铝 、 硫酸 、 一水合肼 作用下， 以 水 、 氯苯 为溶剂， 反应 12.0h， 生成 2,2'-(propane-1,3-diyl)bis(anthracene-9,10-dione)
  参考文献：
  名称：

  Ions derived from dianthrylethane species. How the mode of linking affects the intramolecular electron transfer

  摘要：

  Chemical and electrochemical reduction of dianthryl compounds affords mono-, di, tri-, and tetraanions via successive electron-transfer processes. The diamagnetic or paramagnetic ions are characterized by NMR and ESR spectroscopy, respectively, by cyclic voltammetry, and by quenching reactions. The title dianthryl systems have in common that two anthracene units are linked by ethane bridges in a sterically variable fashion. It appears that the mode of linking drastically affects the rate of intramolecular electron-transfer processes in radical monoanions as well as the charge-storage behavior.

  DOI：

  10.1021/ja00004a009