4-((1E)-2-(10-octyl-3-((E)-2-(10-octyl-10H-phenothiazin-3-yl)vinyl)-10H-phenothiazin-7-yl)vinyl)benzaldehyde | 1100595-68-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 4-((1E)-2-(10-octyl-3-((E)-2-(10-octyl-10H-phenothiazin-3-yl)vinyl)-10H-phenothiazin-7-yl)vinyl)benzaldehyde
• 英文别名: 4-[(E)-2-[10-octyl-7-[(E)-2-(10-octylphenothiazin-3-yl)ethenyl]phenothiazin-3-yl]ethenyl]benzaldehyde
• CAS: 1100595-68-3
• 化学式: C₅₁H₅₆N₂OS₂
• 分子量: 777.15
• InChiKey: WFYACNHRKABDGJ-CXXBXICOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.4
• 重原子数：
  56
• 可旋转键数：
  19
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  74.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  吡咯 、 4-((1E)-2-(10-octyl-3-((E)-2-(10-octyl-10H-phenothiazin-3-yl)vinyl)-10H-phenothiazin-7-yl)vinyl)benzaldehyde 在 丙酸 作用下， 以 溶剂黄146 、 硝基苯 为溶剂， 反应 2.0h， 以15%的产率得到OPTZP2
  参考文献：
  名称：

  Synthesis of phenothiazine-functionalized porphyrins with high fluorescent quantum yields

  摘要：

  Two porphyrins with oligo-phenothiazine arms have been synthesized by a combination of Heck and Adler reaction, and their photophysical properties have been investigated by absorption and steady-state fluorescence spectroscopy. It is found that the excitation energy transfer occurs from the phenothiazine units to the porphyrin core, and that the porphyrins can emit intense red light with high fluorescent quantum yields. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.10.081
• 作为产物：
  描述：

  10-octyl-3-((E)-2-(10-octyl-3-vinyl-10H-phenothiazin-7-yl)vinyl)-10H-phenothiazine 、 4-碘苯甲醛 在 四丁基溴化铵 、 palladium diacetate 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 以70%的产率得到4-((1E)-2-(10-octyl-3-((E)-2-(10-octyl-10H-phenothiazin-3-yl)vinyl)-10H-phenothiazin-7-yl)vinyl)benzaldehyde
  参考文献：
  名称：

  Synthesis of phenothiazine-functionalized porphyrins with high fluorescent quantum yields

  摘要：

  Two porphyrins with oligo-phenothiazine arms have been synthesized by a combination of Heck and Adler reaction, and their photophysical properties have been investigated by absorption and steady-state fluorescence spectroscopy. It is found that the excitation energy transfer occurs from the phenothiazine units to the porphyrin core, and that the porphyrins can emit intense red light with high fluorescent quantum yields. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.10.081