| 1396465-86-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1396465-86-3
• 化学式: C₂₂H₃₂N₄O₂
• 分子量: 384.522
• InChiKey: PNZJIJWJXNXBBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.61
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  31.42
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 喹啉 、 aluminum (III) chloride 、 正丁基锂 、 水 、 叔丁基锂 、 铜 、 potassium carbonate 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 正己烷 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 57.5h， 生成 5,10-bis(trimethyltin)-3,8-di(2-ethylhexyloxy)naphtho[3,2-b:7,6-b′]dithiophene
  参考文献：
  名称：

  Synthesis and Characterization of a Novel Naphthodithiophene-Based Copolymer for Use in Polymer Solar Cells

  摘要：

  A novel naphtho[2,3-b:6,7-d']dithiophene (NDT)-based copolymer, poly[4,9-bis(2-ethylhexyloxy)naphtho[2,3-b:6,7-d']dithiophene-2,7-diyl-alt-1,3-(5-heptadecan-9-yl)-4H-thieno[3,4-c]pyrrole-4,6-dione] (P1), was synthesized and characterized for use in polymer solar cells. We systematically investigated the synthesis, thermal stability, optical and electrochemical properties, field-effect carrier mobilities, and photovoltaic characteristics of the resulting polymer. The properties of the NDT-based polymer were compared with those of poly[4,8-bis(2-ethylhexyloxy)benzo[1,2-b:4,5-b']dithiophene-alt-1,3-(5-heptadecan-9-yl)-4H-thieno[3,4-c]pyrrole-4,6-dione] (P2) prepared via the same synthetic procedure. Polymer solar cells made from the new polymer, P1, yielded a power conversion efficiency of 4.0% with a short-circuit current density of 11.54 mA/cm(2), an open-circuit voltage of 0.69 V, and a fill factor of 0.50 under AM 1.5 G irradiation (100 mW/cm(2)).

  DOI：

  10.1021/ma301312d
• 作为产物：
  描述：

  1,5-dimethoxynaphthalene-2,6-dicarboxaldehyde 、 N,N'-二甲基乙二胺 以 乙醇 为溶剂， 反应 7.0h， 以88%的产率得到
  参考文献：
  名称：

  Synthesis and Characterization of a Novel Naphthodithiophene-Based Copolymer for Use in Polymer Solar Cells

  摘要：

  A novel naphtho[2,3-b:6,7-d']dithiophene (NDT)-based copolymer, poly[4,9-bis(2-ethylhexyloxy)naphtho[2,3-b:6,7-d']dithiophene-2,7-diyl-alt-1,3-(5-heptadecan-9-yl)-4H-thieno[3,4-c]pyrrole-4,6-dione] (P1), was synthesized and characterized for use in polymer solar cells. We systematically investigated the synthesis, thermal stability, optical and electrochemical properties, field-effect carrier mobilities, and photovoltaic characteristics of the resulting polymer. The properties of the NDT-based polymer were compared with those of poly[4,8-bis(2-ethylhexyloxy)benzo[1,2-b:4,5-b']dithiophene-alt-1,3-(5-heptadecan-9-yl)-4H-thieno[3,4-c]pyrrole-4,6-dione] (P2) prepared via the same synthetic procedure. Polymer solar cells made from the new polymer, P1, yielded a power conversion efficiency of 4.0% with a short-circuit current density of 11.54 mA/cm(2), an open-circuit voltage of 0.69 V, and a fill factor of 0.50 under AM 1.5 G irradiation (100 mW/cm(2)).

  DOI：

  10.1021/ma301312d