2-(3-Ethylphenyl)-5-[2-(3-ethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione | 155275-44-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(3-Ethylphenyl)-5-[2-(3-ethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
• 英文别名: 2-(3-ethylphenyl)-5-[2-(3-ethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
• CAS: 155275-44-8
• 化学式: C₃₃H₂₄N₂O₅
• 分子量: 528.564
• InChiKey: ZRUWRHOIFNUMDB-UHFFFAOYSA-N

物化性质

• 沸点：
  759.3±70.0 °C(predicted)
• 密度：
  1.362±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  91.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(3-Ethylphenyl)-5-[2-(3-ethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Photophysical Processes in Aromatic Polyimides. 2. Photoreduction of Benzophenone-containing Polyimide Model Compounds

  摘要：

  The photochemical kinetic parameters for the model compounds of benzophenone-containing polyimide were determined on the basis of the Stern-Volmer analysis. The quantum yield for photoreduction, Phi(M), in dichloromethane decreased with an increase in the intramolecular charge-transfer (CT) character which depends upon the chemical structure of the amine components and the conformation around N-aryl group linkage. This could be explained well by a schematic photophysical mechanism in which the intersystem crossing followed by the hydrogen abstraction competes with the intramolecular CT process followed by effective deactivation. The phosphorescence spectra and lifetime at 77 K and the transient T-1 --> T-n absorption and emission spectra of the model compounds at 20 degrees C suggested that T-1 is of pure (n,pi*) state independent of the intramolecular CT character. It was found that benzophenonebisimides have the hydrogen abstraction rate constants no less than that of benzophenone (BP).

  DOI：

  10.1021/j100093a017
• 作为产物：
  描述：

  3-乙基苯胺 、 3,3',4,4'-二苯甲酮四甲酸二酐 以 N,N-二甲基乙酰胺 为溶剂， 生成 2-(3-Ethylphenyl)-5-[2-(3-ethylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
  参考文献：
  名称：

  Photophysical Processes in Aromatic Polyimides. 2. Photoreduction of Benzophenone-containing Polyimide Model Compounds

  摘要：

  The photochemical kinetic parameters for the model compounds of benzophenone-containing polyimide were determined on the basis of the Stern-Volmer analysis. The quantum yield for photoreduction, Phi(M), in dichloromethane decreased with an increase in the intramolecular charge-transfer (CT) character which depends upon the chemical structure of the amine components and the conformation around N-aryl group linkage. This could be explained well by a schematic photophysical mechanism in which the intersystem crossing followed by the hydrogen abstraction competes with the intramolecular CT process followed by effective deactivation. The phosphorescence spectra and lifetime at 77 K and the transient T-1 --> T-n absorption and emission spectra of the model compounds at 20 degrees C suggested that T-1 is of pure (n,pi*) state independent of the intramolecular CT character. It was found that benzophenonebisimides have the hydrogen abstraction rate constants no less than that of benzophenone (BP).

  DOI：

  10.1021/j100093a017