4,10-(2-(5-octylthieno[3,4-c]pyrrole-4,6-dione))-N⁶,N¹²-bis-(4-octylphenyl)-N⁶,N¹²-bis(tert-butyl carbamate)anthanthrene-6,12-diamine | 1502834-25-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 4,10-(2-(5-octylthieno[3,4-c]pyrrole-4,6-dione))-N⁶,N¹²-bis-(4-octylphenyl)-N⁶,N¹²-bis(tert-butyl carbamate)anthanthrene-6,12-diamine
• CAS: 1502834-25-4
• 化学式: C₈₈H₁₀₄N₄O₈S₂
• 分子量: 1409.95
• InChiKey: JLUGWUBWYAJUMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  25.65
• 重原子数：
  102.0
• 可旋转键数：
  34.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  133.84
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  4,10-(2-(5-octylthieno[3,4-c]pyrrole-4,6-dione))-N⁶,N¹²-bis-(4-octylphenyl)-N⁶,N¹²-bis(tert-butyl carbamate)anthanthrene-6,12-diamine 以 neat (no solvent) 为溶剂， 反应 0.5h， 以85%的产率得到4,10-(2-(5-octylthieno[3,4-c]pyrrole-4,6-dione))-N⁶,N¹²-bis-(4-octylphenyl)anthanthrene-6,12-diamine
  参考文献：
  名称：

  Synthesis and Optoelectronic Properties of 6,12-Bis(amino)anthanthrene Derivatives

  摘要：

  A series of 6,12-bis(amino) anthanthrene-based conjugated molecules were prepared and characterized using UV-vis and fluorescence spectroscopy and cyclic voltammetry. The absorption spectra and redox potentials of these molecules can be modulated by changing the conjugated moieties linked at the 4 and 10 positions. Moreover, the optoelectronic properties of these derivatives strongly depend on the moieties attached to the nitrogen atoms at the 6 and 12 positions.

  DOI：

  10.1021/jo402313c
• 作为产物：
  描述：

  2-bromo-N-octyl-3,4-thiophenedicarboximide 、 4,10-bis(pinacolatoboronic ester)-N⁶,N¹²-bis(4-octylphenyl)-N⁶,N¹²-bis(tert-butyl carbamate)anthanthrene-6,12-diamine 在 bis-triphenylphosphine-palladium(II) chloride 、 四丁基溴化铵 、 potassium carbonate 作用下， 以 水 、 甲苯 为溶剂， 以77%的产率得到4,10-(2-(5-octylthieno[3,4-c]pyrrole-4,6-dione))-N⁶,N¹²-bis-(4-octylphenyl)-N⁶,N¹²-bis(tert-butyl carbamate)anthanthrene-6,12-diamine
  参考文献：
  名称：

  Synthesis and Optoelectronic Properties of 6,12-Bis(amino)anthanthrene Derivatives

  摘要：

  A series of 6,12-bis(amino) anthanthrene-based conjugated molecules were prepared and characterized using UV-vis and fluorescence spectroscopy and cyclic voltammetry. The absorption spectra and redox potentials of these molecules can be modulated by changing the conjugated moieties linked at the 4 and 10 positions. Moreover, the optoelectronic properties of these derivatives strongly depend on the moieties attached to the nitrogen atoms at the 6 and 12 positions.

  DOI：

  10.1021/jo402313c