6-(dihexylamine)-2-[4-(2,5-di-2-thienyl-1H-pyrrole-1-yl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione | 1474062-50-4

• 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: 6-(dihexylamine)-2-[4-(2,5-di-2-thienyl-1H-pyrrole-1-yl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
• 英文别名: 6-(Dihexylamino)-2-[4-(2,5-dithiophen-2-ylpyrrol-1-yl)phenyl]benzo[de]isoquinoline-1,3-dione
• CAS: 1474062-50-4
• 化学式: C₄₂H₄₃N₃O₂S₂
• 分子量: 685.954
• InChiKey: KJXHSRNZNIVBPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.7
• 重原子数：
  49
• 可旋转键数：
  15
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(4-nitrophenyl)-2,5-di(thiophen-2-yl)-1H-pyrrole 在 吡啶 、 copper(l) iodide 、 18-冠醚-6 、 palladium on activated charcoal 、 potassium carbonate 、 一水合肼 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 80.5h， 生成 6-(dihexylamine)-2-[4-(2,5-di-2-thienyl-1H-pyrrole-1-yl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
  参考文献：
  名称：

  A new processable donor–acceptor polymer displaying neutral state yellow electrochromism

  摘要：

  We report here the synthesis of a new solution processable neutral state yellow polymeric electrochromic material containing 2,5-bis-dithienyl-1H-pyrrole (SNS)-donor and 1,8 naphthalimide-acceptor (SNS-NI) as a subunit. The electrochemical and optical properties were investigated via cyclic voltammetry (CV), UV Vis absorption and fluorescence emission measurements, respectively. Besides, electrochromic performance of poly(SNS NI) has been compared to the both the film preparation method and poly(1-phenyl-2,5-dithiophen-2-ylpyrrole) [poly(SNS-P)] as a standard polymer. In the poly(SNS-NI), yellow color of the polymer film at neutral state converted to green and then dark blue upon the polymer film fully oxidized in the positive regime. SNS NI polymer film prepared via spin casting process exhibits a high contrast ratio in the near-IR region (Delta T% = 56% at 890 nm), a response time of about 1 s, high coloration efficiency (299 cm(2) C-1) and retained its performance by 98.6% even after 5000 cycles. Finally, the results clearly indicate that both electronic nature of the molecule and film preparation method have a major impact on electrochromic performance of these polymers. Crown Copyright (C) 2013 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.polymer.2013.09.033