N,N-bis(4-octyloxyphenyl)aniline | 1169940-38-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-bis(4-octyloxyphenyl)aniline
• 英文别名: 4,4'-Dioctyloxytriphenylamine；4-octoxy-N-(4-octoxyphenyl)-N-phenylaniline
• CAS: 1169940-38-8
• 化学式: C₃₄H₄₇NO₂
• 分子量: 501.753
• InChiKey: MKGMYSFBCAYAAP-UHFFFAOYSA-N

物化性质

• 沸点：
  609.6±40.0 °C(Predicted)
• 密度：
  1.004±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  37
• 可旋转键数：
  19
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N-bis(4-octyloxyphenyl)aniline 在 sodium hydride 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 9.0h， 生成 (E)-4-(4-nitrostyryl)-N,N-di(4-(octyloxyl)phenyl)aniline
  参考文献：
  名称：

  Synthesis and characterization of triphenylamine modified azobenzene dyes

  摘要：

  A series of triphenylamine modified azobenzenes were synthesized and studied theoretically and experimentally. D-A-D structures of these dyes were revealed with an intramolecular charge transfer (ICT) from both triphenylamine or indoline units (donor) to the central azobenzene unit (acceptor). Both computational and experimental results indicate that a stronger electron donating ability of the donor enhances the degree of ICT and improve their HOMO energies. The absorption spectra indicate an increased light absorption by enhanced ICT effect. The intermolecular interaction also affects their absorption ability. The strongest intermolecular interaction results in the best light absorption ability in films. An obviously increased hole mobility was also found as the ICT was-enhanced. These dyes were used as hole transport materials (HTM) of perovskite solar cells to investigate their feasibility. It is revealed that the solubility and filming ability are significant for the photovoltaic performance of devices. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2016.10.018

文献信息

• Stable Dyes Containing Double Acceptors without COOH as Anchors for Highly Efficient Dye-Sensitized Solar Cells
  作者：Jiangyi Mao、Nannan He、Zhijun Ning、Qiong Zhang、Fuling Guo、Long Chen、Wenjun Wu、Jianli Hua、He Tian

  DOI：10.1002/anie.201204948

  日期：2012.9.24

  The electron acceptor 2‐(1,1‐dicyanomethylene) rhodanine is a promising alternative to cyanoacrylic acid as an anchoring group for organic dyes. For example, the RD‐II‐based dye‐sensitized solar cell has an overall conversion efficiency of 7.11 % and long‐term stability.

  电子受体2-（1,1-二氰基亚甲基）若丹宁是氰基丙烯酸作为有机染料的锚定基团的一种有前途的替代品。例如，基于RD II型染料敏化的太阳能电池的总转换效率为7.11％，并具有长期稳定性。