4,10-(2-thienyl)-N⁶,N¹²-bis(4-octylphenyl)-N⁶,N¹²-bis(tert-butyl carbamate)anthanthrene-6,12-diamine | 1502834-19-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 4,10-(2-thienyl)-N⁶,N¹²-bis(4-octylphenyl)-N⁶,N¹²-bis(tert-butyl carbamate)anthanthrene-6,12-diamine
• 英文别名: tert-butyl N-[22-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-octylanilino]-9,18-dithiophen-2-yl-12-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)-undecaenyl]-N-(4-octylphenyl)carbamate
• CAS: 1502834-19-6
• 化学式: C₆₈H₇₄N₂O₄S₂
• 分子量: 1047.48
• InChiKey: YWRBSMWYXSESKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.3
• 重原子数：
  76
• 可旋转键数：
  24
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4,10-(2-thienyl)-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98%的产率得到4,10-(2-thienyl)-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：

  4-辛基苯胺 在 三乙烯二胺 、 4-二甲氨基吡啶 、 bis-triphenylphosphine-palladium(II) chloride 、 氢碘酸 、 四氯化钛 作用下， 以 四氢呋喃 、 二氯甲烷 、 氯仿 、 水 、 邻二氯苯 、 甲苯 为溶剂， 反应 8.17h， 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

文献信息

• 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.