| 1426400-19-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• CAS: 1426400-19-2
• 化学式: C₃₆H₂₄N₂O₂
• 分子量: 516.599
• InChiKey: XETZDSPBXJSBFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.04
• 重原子数：
  40.0
• 可旋转键数：
  4.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  65.72
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  溴己烷 、 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 1,6-Dihexoxy-3,4,8,9-tetraphenylpyrido[3,4-g]isoquinoline 、 6-Hexoxy-2-hexyl-3,4,8,9-tetraphenylpyrido[3,4-g]isoquinolin-1-one 、 2,7-Dihexyl-3,4,8,9-tetraphenylpyrido[3,4-g]isoquinoline-1,6-dione
  参考文献：
  名称：

  New emissive organic molecule based on pyrido[3,4-g]isoquinoline framework: synthesis and fluorescence tuning as well as optical waveguide behavior

  摘要：

  In this paper we report the synthesis and crystal structures of emissive organic molecule (la) based on pyrido[3,4-g]isoquinoline framework as well as its isomers 1b and 1c. The emission quantum yields decrease after transformation of pyridine moieties in la into the cyclic-amides in 1b and 1c. The fluorescent spectral results reveal that la, 1b, and 1c exhibit no AIE behavior. This is tentatively attributed to intramolecular weak C center dot center dot center dot H interactions, which may impede the intramolecular rotations based on the crystal structures of la and 1c. Interestingly, 1a, 1b, and 1c are emissive in the solid state, and among them la possesses the highest emission quantum yield (0.22). Moreover, the fluorescence of la in solution and solid state can be reversibly tuned by reactions with trifluoroacetic acid and triethylamine. Microarea PL studies reveal that microrods of la and these after exposure to HCl gas show typical waveguide behavior. (C) 2013 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2013.02.041
• 作为产物：
  描述：

  对苯二甲酸二甲酯 在 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 cesium acetate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  New emissive organic molecule based on pyrido[3,4-g]isoquinoline framework: synthesis and fluorescence tuning as well as optical waveguide behavior

  摘要：

  In this paper we report the synthesis and crystal structures of emissive organic molecule (la) based on pyrido[3,4-g]isoquinoline framework as well as its isomers 1b and 1c. The emission quantum yields decrease after transformation of pyridine moieties in la into the cyclic-amides in 1b and 1c. The fluorescent spectral results reveal that la, 1b, and 1c exhibit no AIE behavior. This is tentatively attributed to intramolecular weak C center dot center dot center dot H interactions, which may impede the intramolecular rotations based on the crystal structures of la and 1c. Interestingly, 1a, 1b, and 1c are emissive in the solid state, and among them la possesses the highest emission quantum yield (0.22). Moreover, the fluorescence of la in solution and solid state can be reversibly tuned by reactions with trifluoroacetic acid and triethylamine. Microarea PL studies reveal that microrods of la and these after exposure to HCl gas show typical waveguide behavior. (C) 2013 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2013.02.041