3,5-dibromo-N,N-bis(4-(hexyloxy)phenyl)benzenamine | 1443509-78-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3,5-dibromo-N,N-bis(4-(hexyloxy)phenyl)benzenamine
• 英文别名: 3,5-dibromo-N,N-bis(4-hexoxyphenyl)aniline
• CAS: 1443509-78-1
• 化学式: C₃₀H₃₇Br₂NO₂
• 分子量: 603.437
• InChiKey: NJJJMPBORSAXQK-UHFFFAOYSA-N

物化性质

• 沸点：
  632.1±55.0 °C(predicted)
• 密度：
  1.294±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  35.0
• 可旋转键数：
  15.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  21.7
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3,5-dibromo-N,N-bis(4-(hexyloxy)phenyl)benzenamine 、 4-庚氧基苯胺 在 1,1'-双(二苯基膦)二茂铁 、 palladium diacetate 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以53%的产率得到N1,N1,N3,N5-tetrakis(4-(hexyloxy)phenyl)benzene-1,3,5-triamine
  参考文献：
  名称：

  Dual-channel anchorable organic dye with triphenylamine-based core bridge unit for dye-sensitized solar cells

  摘要：

  Dual-channel (DC) anchorable organic dye based on an acceptor-pi-donor-core bridge donor-donor-pi-acceptor structural motif, was synthesized and used as sensitizer for dye sensitized solar cells (DSSCs). DC dye linked the two donors using a core bridge donor such as triphenylamine unit, which makes two channels maintaining a particular distance (>4 angstrom). The inter-planar DC5 exhibited dye aggregation and charge recombination due to strongly intermolecular pi-pi stacking between the channels of DC dyes adsorbed on the TiO2 surface. As a result, a solar cell based on DC5 with a hole conductor coadsorbent of HC-A1 showed better photovoltaic performance with a J(sc) of 8.90 mA cm(-2), a V-oc of 0.70 V, and an FF of 0.77, corresponding to an overall conversion efficiency (eta) of 4.80%. Published by Elsevier Ltd.

  DOI：

  10.1016/j.dyepig.2013.06.014
• 作为产物：
  描述：

  4-庚氧基苯胺 在 1,1'-双(二苯基膦)二茂铁 、 palladium diacetate 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 3,5-dibromo-N,N-bis(4-(hexyloxy)phenyl)benzenamine
  参考文献：
  名称：

  Dual-channel anchorable organic dye with triphenylamine-based core bridge unit for dye-sensitized solar cells

  摘要：

  Dual-channel (DC) anchorable organic dye based on an acceptor-pi-donor-core bridge donor-donor-pi-acceptor structural motif, was synthesized and used as sensitizer for dye sensitized solar cells (DSSCs). DC dye linked the two donors using a core bridge donor such as triphenylamine unit, which makes two channels maintaining a particular distance (>4 angstrom). The inter-planar DC5 exhibited dye aggregation and charge recombination due to strongly intermolecular pi-pi stacking between the channels of DC dyes adsorbed on the TiO2 surface. As a result, a solar cell based on DC5 with a hole conductor coadsorbent of HC-A1 showed better photovoltaic performance with a J(sc) of 8.90 mA cm(-2), a V-oc of 0.70 V, and an FF of 0.77, corresponding to an overall conversion efficiency (eta) of 4.80%. Published by Elsevier Ltd.

  DOI：

  10.1016/j.dyepig.2013.06.014