4,10-dibromo-N⁶,N¹²-bis(4-octylphenyl)anthanthrene-6,12-diamine | 1502834-15-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 4,10-dibromo-N⁶,N¹²-bis(4-octylphenyl)anthanthrene-6,12-diamine
• 英文别名: 9,18-dibromo-12-N,22-N-bis(4-octylphenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene-12,22-diamine
• CAS: 1502834-15-2
• 化学式: C₅₀H₅₂Br₂N₂
• 分子量: 840.784
• InChiKey: NCNTVDDDFLOXTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.5
• 重原子数：
  54
• 可旋转键数：
  18
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,10-dibromo-N⁶,N¹²-bis(4-octylphenyl)anthanthrene-6,12-diamine 在 4-二甲氨基吡啶 、 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 5.0h， 生成 4,10-(2-thienyl)-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
• 作为产物：
  描述：

  4-辛基苯胺 在 三乙烯二胺 、 氢碘酸 、 四氯化钛 作用下， 以 二氯甲烷 、 氯仿 、 水 、 邻二氯苯 为溶剂， 反应 3.17h， 生成 4,10-dibromo-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

文献信息

• Wurster-Type Nanographenes as Stable Diradical Dications
  作者：Maude Desroches、Jean-Francois Morin

  DOI：10.1002/chem.201706081

  日期：2018.2.26

  dications based on the 4,10‐dibromoanthanthrone have been synthesized and characterized. In their dicationic state, the amines show a biradical character in the ground state. Their magnetic properties have been investigated by NMR and EPR spectroscopies. The dicationic salts shows strong and broad optical absorption in the near‐infrared region. The main driving force to obtain a ground state biradical

  合成并表征了基于4,10-二溴蒽蒽酮的三种新的稳定的双基药物。在它们的双键状态下，胺在基态下表现出双自由基特性。它们的磁性能已通过NMR和EPR光谱学进行了研究。药用盐在近红外区域显示出强大而广泛的光吸收。获得基态双自由基的主要驱动力是高位阻，该位阻阻止了二苯胺与蒽酮芳烃核的平面化。X射线衍射结构表明，自由基阳离子被隔离在两个垂直的π系统中。这项工作为寻找双自由基双（三芳基胺）盐提供了一个新的桥梁单元。
• Synthesis and Optoelectronic Properties of 6,12-Bis(amino)anthanthrene Derivatives
  作者：Jean-Benoît Giguère、Jean-François Morin

  DOI：10.1021/jo402313c

  日期：2013.12.20

  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.