2,3,7,8-tetracyanooxanthrene | 389578-29-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶英
• 英文名称: 2,3,7,8-tetracyanooxanthrene
• 英文别名: Dibenzo[b,e][1,4]dioxin-2,3,7,8-tetracarbonitrile；dibenzo-p-dioxin-2,3,7,8-tetracarbonitrile
• CAS: 389578-29-4
• 化学式: C₁₆H₄N₄O₂
• 分子量: 284.233
• InChiKey: DMCLWSSDWMQJGT-UHFFFAOYSA-N

物化性质

• 沸点：
  575.0±50.0 °C(Predicted)
• 密度：
  1.56±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.07
• 重原子数：
  22.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  113.62
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  4,5-二溴苯-1,2-二醇 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 2,3,7,8-tetracyanooxanthrene
  参考文献：
  名称：

  摘要：

  Macrodiscotic materials are liquid crystalline systems composed of an extended planar structure. It is anticipated that the self-ordering of such materials will result in interesting mechanical and electronic properties. Two synthetic strategies for the realisation of macrodiscotic materials are reviewed: firstly, the preparation of molecules which possess a single extended discotic core and secondly, the assembly of rigid, planar macromolecules composed of a random array of fused discotic units. Oxanthrene-based phthalonitrile precursors, prepared by high yielding reactions between catechols and 4,5-dichlorophthalonitrile, are used to explore both strategies for the synthesis of macrodiscotic materials that incorporate phthalocyanine (Pc) as the discotic unit.

  DOI：

  10.1039/b103145g