| 1400751-70-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 1400751-70-3
• 化学式: C₄₄H₄₄N₄O₄
• 分子量: 692.858
• InChiKey: NGJDWMWCLFOUKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  52.0
• 可旋转键数：
  4.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  81.24
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 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， 反应 5.0h， 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

文献信息

• Synthesis and characterization of perylene diimide based molecular multilayers using CuAAC: towards panchromatic assemblies
  作者：Evan E. Beauvilliers、Michael R. Topka、Peter H. Dinolfo

  DOI：10.1039/c4ra04512b

  日期：——

  Three perylene diimides (PDI) were synthesized with propargyl groups at the diimide positions to enable the fabrication of molecular multilayer thin films via sequential copper(I) catalyzed azide-alkyne cycloaddition (CuAAC) coupling reactions in a layer-by-layer (LbL) fashion. The new PDIs with phenoxy (PhO-PDI), dodecylthiol (Thiol-PDI), and pyrrolidine (Pyrr-PDI) substituents in bay positions have

  三个苝二酰亚胺（PDI）在二酰亚胺的位置与炔基团而合成，以使分子的多层薄膜的制造通过连续铜（我）催化的叠氮化物-炔烃环加成加成（CuAAC）在偶联反应的层-层（LBL）时尚。在海湾位置带有苯氧基（PhO-PDI），十二烷基硫醇（Thiol-PDI）和吡咯烷（Pyrr-PDI）取代基的新PDI具有跨越可见区很大一部分的光吸收光谱。已证明在11-叠氮基十二烷基硅氧烷涂层的石英玻璃和氧化铟锡（ITO）表面上可以多层生长，每个PDI最多有10个双层与1,3,5-三（叠氮基甲基）-苯（N 3 Mest）通过光学和红外光谱。偏振紫外可见吸收测量结果显示，该膜对光路中膜的取向有很强的依赖性，并且与膜中PDI分子相对于基材表面的40-42°的优先取向一致。薄膜的掠角衰减全反射率（GATR）红外光谱显示，多层膜从N 3 Mest生长期间未反应的叠氮化物含量增加与PDI组分相比，其分子足迹较小。在ITO上生长