2-[6-(1H-pyrrol-1-yl)hexyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione | 1422040-49-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 2-[6-(1H-pyrrol-1-yl)hexyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
• CAS: 1422040-49-0
• 化学式: C₂₂H₂₂N₂O₂
• 分子量: 346.429
• InChiKey: RQKJWHHXQINDKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  26.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  42.31
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2,5-二甲氧基四氢呋喃 、 2-(6-aminohexyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione 在 溶剂黄146 作用下， 以 溶剂黄146 为溶剂， 反应 24.17h， 生成 2-[6-(1H-pyrrol-1-yl)hexyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
  参考文献：
  名称：

  A Solution-processible, n-dopable polypyrrole derivative

  摘要：

  AbstractIn this study, soluble, n‐dopable, florescent, electrochromic polypyrrole derivative was synthesized through both chemical and electrochemical polymerization of 2‐[6‐(1H‐pyrrol‐1‐yl)hexyl]‐1H‐benzo[de]isoquinoline‐1,3(2H)‐dione (PyNI). The polymer synthesized through chemical polymerization had PL emission maxima at 471 and 543 nm and exhibited two redox couples at E1/2,p = −1.48 V and E1/2,p = 1.12 V due to n‐type and p‐type doping, respectively. Electrochromic properties of electrochemically synthesized poly(PyNI) (PPyNI) were investigated via spectroelectrochemistry, kinetic studies, coloration efficiency, and colorimetry measurements. The optical band gap of PPyNI was calculated as 2.99 and 2.37 eV. Spectroelectrochemistry analysis of PPyNI reflected electronic transitions at 330–418 nm and 704 nm due to π–π* transition and charge carrier band formation, respectively. The polymer exhibited a switching time of 1.63 s and an optical contrast of 33.37%. Furthermore, dual‐type, complementary‐colored polymer electrochromic device in ITO/PPyNI/PEDOT/ITO configuration was assembled and characterized. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012

  DOI：

  10.1002/pola.26321