| 1400751-58-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 1400751-58-7
• 化学式: C₄₆H₄₂N₂O₅
• 分子量: 702.85
• InChiKey: VQSWTNLDTWWFIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.68
• 重原子数：
  53.0
• 可旋转键数：
  4.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  83.99
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  乙醇 、 在 potassium carbonate 作用下， 以 氯仿 为溶剂， 反应 24.0h， 以34%的产率得到
  参考文献：
  名称：

  Facile synthesis and replacement reactions of mono-substituted perylene bisimide dyes

  摘要：

  Mono-substituted perylene bisimides were synthesized in high yields under mild condition. The starting material was mono-nitrified perylene bisimides instead of usual perylene bisimides halogenated at different levels. Besides phenols and amine, the nucleophilic reagents included alcohol and thiol. The substitution of nitro group was easier and more effective than the substitution of halogen atoms. But the substitution reaction of pyrrolidine afforded mono-and 1,6-disubstituted perylene bisimides owing to the high activity of nitrified perylene bisimides and pyrrolidine. Several replacement reactions between phenols and alcohol based on phenol mono-substituted perylene bisimide were also found. The replacement reactions between phenols was fast and in high yield. The absorption of the mono-substituted perylene bisimides were tunable in the whole visible region. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.05.009
• 作为产物：
  描述：

  2,9-二(环己基)-蒽并[2,1,9-def:6,5,10-D'e'f']二异喹啉-1,3,8,10-四酮 在 ammonium cerium (IV) nitrate 、 硝酸 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 8.0h， 生成
  参考文献：
  名称：

  Facile synthesis and replacement reactions of mono-substituted perylene bisimide dyes

  摘要：

  Mono-substituted perylene bisimides were synthesized in high yields under mild condition. The starting material was mono-nitrified perylene bisimides instead of usual perylene bisimides halogenated at different levels. Besides phenols and amine, the nucleophilic reagents included alcohol and thiol. The substitution of nitro group was easier and more effective than the substitution of halogen atoms. But the substitution reaction of pyrrolidine afforded mono-and 1,6-disubstituted perylene bisimides owing to the high activity of nitrified perylene bisimides and pyrrolidine. Several replacement reactions between phenols and alcohol based on phenol mono-substituted perylene bisimide were also found. The replacement reactions between phenols was fast and in high yield. The absorption of the mono-substituted perylene bisimides were tunable in the whole visible region. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.05.009