4,4'-[oxobis(3-nitro-o-phenyleneazo)]bis(N,N-dimethyl-aniline)

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: 4,4'-[oxobis(3-nitro-o-phenyleneazo)]bis(N,N-dimethyl-aniline)
• 英文别名: 4-[[2-[2-[[4-(dimethylamino)phenyl]diazenyl]-4-nitrophenoxy]-5-nitrophenyl]diazenyl]-N,N-dimethylaniline
• 化学式: C₂₈H₂₆N₈O₅
• 分子量: 554.565
• InChiKey: APFSKWQZBFTRQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  41
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  157
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  硝基氯苯 在 palladium on activated charcoal 盐酸 、 氢氧化钾 、 硫酸 、 氢气 、 硝酸 、 sodium nitrite 作用下， 以 甲醇 、 溶剂黄146 、 甲苯 为溶剂， 20.0 ℃ 、405.3 kPa 条件下， 反应 1.5h， 生成 4,4'-[oxobis(3-nitro-o-phenyleneazo)]bis(N,N-dimethyl-aniline)
  参考文献：
  名称：

  Oxygen bridged nitroanilines for quadratic nonlinear optics

  摘要：

  Several nitro aromatic compounds bridged by an oxygen atom have been synthesized and their linear and nonlinear optical properties have been investigated. In one of the compounds (1), a powder SHG efficiency of 6.2 times of urea was observed while its absorption lies in the UV region. The highest molecular hyperpolarizability beta, measured was 230 X 10(-30) for a compound (8f) with increased conjugation. Thermal stability of these compounds has been checked using differential scanning calorimetry and the decomposition temperature (T-d) was found to be high and lying between 266-298 degreesC. These molecules have potential importance as thermally stable, visible-transparent second order NLO materials. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(02)00538-0

文献信息

• Oxygen bridged nitroanilines for quadratic nonlinear optics
  作者：Ramanathan Sudharsanam、Srinivasan Chandrasekaran、PuspenduKumar Das

  DOI：10.1016/s0022-2860(02)00538-0

  日期：2003.1

  Several nitro aromatic compounds bridged by an oxygen atom have been synthesized and their linear and nonlinear optical properties have been investigated. In one of the compounds (1), a powder SHG efficiency of 6.2 times of urea was observed while its absorption lies in the UV region. The highest molecular hyperpolarizability beta, measured was 230 X 10(-30) for a compound (8f) with increased conjugation. Thermal stability of these compounds has been checked using differential scanning calorimetry and the decomposition temperature (T-d) was found to be high and lying between 266-298 degreesC. These molecules have potential importance as thermally stable, visible-transparent second order NLO materials. (C) 2002 Elsevier Science B.V. All rights reserved.