1-(4-硝基苯基)异喹啉 | 86448-89-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 1-(4-硝基苯基)异喹啉
• 英文名称: 1-(4-nitrophenyl)isoquinoline
• 英文别名: p-nitrophenyl-1 isoquinoleine；1-(4-nitro-phenyl)-isoquinoline；1-(4-Nitro-phenyl)-isochinolin；1-<4-Nitro-phenyl>-isochinolin
• CAS: 86448-89-7
• 化学式: C₁₅H₁₀N₂O₂
• 分子量: 250.257
• InChiKey: NCKCFKKDTKRSBR-UHFFFAOYSA-N

物化性质

• 熔点：
  155-156 °C
• 沸点：
  421.4±25.0 °C(Predicted)
• 密度：
  1.290±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-硝基苯基)异喹啉 在 硫酸 、 potassium nitrate 作用下， 生成 5-nitro-1-(4-nitro-phenyl)-isoquinoline
  参考文献：
  名称：

  148.对异喹啉化学的贡献。第一部分。二氨基-1-苯基异喹啉甲硫醇的合成，以寻找新的锥虫病，以及关于1-苯基异喹啉硝化的一些观察结果

  摘要：

  DOI：

  10.1039/jr9490000696
• 作为产物：
  描述：

  2-苯乙胺盐酸盐 在 吡啶 、 1,2,3,4-四氢萘 、 phosphorus pentoxide 、 钯 作用下， 生成 1-(4-硝基苯基)异喹啉
  参考文献：
  名称：

  148.对异喹啉化学的贡献。第一部分。二氨基-1-苯基异喹啉甲硫醇的合成，以寻找新的锥虫病，以及关于1-苯基异喹啉硝化的一些观察结果

  摘要：

  DOI：

  10.1039/jr9490000696

文献信息

• Phase-selective modulation of TiO2 for visible light-driven C H arylation: Tuning of absorption and adsorptivity
  作者：Sora Bak、Sae Mi Lee、Hee Min Hwang、Hyoyoung Lee

  DOI：10.1016/j.mcat.2019.04.017

  日期：2019.7

  To understand and modify TiO2 for organic photoreaction, two points are important: improving light absorption and retaining adsorption sites for organic reagents. Herein, we tuning the absorption and adsorption of TiO2 by introducing the defects on each phase of TiO2, called phase-mixed structures of ordered anatase (OA) and disordered rutile (DR) (OA/DR P25) and disordered anatase (DA) and ordered rutile (OR) (DA/OR P25). Disordered structure of TiO2 broadened the absorption wavelength range including visible light, but changed surface structure reduced the adsorptivity of organic reactant. Additionally, anatase and rutile phase of TiO2 has different surface properties and energy band structure, so keeping the crystalline anatase surface for adsorption was important while introducing the TiO2. Thus, it is assumed that the phase combination of OA and DR can be the best photocatalytic structure of TiO2 even without any supporting materials and/or co-catalysts. In fact, the arylation yield of OA/DR P25 is the highest (63.4%), compared to those of untreated P25 (40.0%) and DA/OR (20.1%), highlighting the potential of OA/DR P25 in various visible light-driven photocatalytic organic reactions.
• Some Substituted Isoquinolines
  作者：Henry Gilman、Gordon C. Gainer

  DOI：10.1021/ja01200a032

  日期：1947.8
• Reaction des nitrones avec les chlorures d'acides: action de chlorures d'aryl-sulfonyles et du chlorure de benzoyle sur des n-oxy (aryl-1 dihydro-3,4 isoquinoleines). Formation d'une isoquinoleine, d'un isocarbostyryle ou d'une indoline selon les conditions
  作者：M. Cherest、X. Lusinchi

  DOI：10.1016/0040-4020(82)85031-x

  日期：1982.1
• Highly-efficiency red-emitting platinum (II) complexes containing 4′-diarylamino-1-phenylisoquinoline ligands in polymer light-emitting diodes: Synthesis, structure, photoelectron and electroluminescence
  作者：Zhengyong Hu、Yafei Wang、Danyan Shi、Hua Tan、Xiaoshuang Li、Lei Wang、Weiguo Zhu、Yong Cao

  DOI：10.1016/j.dyepig.2009.12.014

  日期：2010.7

  Heteroleptic cyclometalated platinum (II) complexes bearing diarylamino-functionalized 1-phenylisoquinoline derivatives as primary ligand and acetyl acetonate as ancillary ligand were prepared and characterized. Single-crystal X-ray diffraction revealed that platinum (II) (4-(isoquinolin-1-yl)-N,N-diphenylbenzenamine-N,C-2') (2,4-pentanedionato-O,O) displayed square planar molecular geometry with Pt center dot center dot center dot Pt separation of 6.328 and 6.275 angstrom. The platinum (II) complexes displayed good thermal and morphological stability, as well as intense ligand-centered fluorescence and pi-pi* phosphorescence at 298 K, as well as strong phosphorescence at 77 K in dichloromethane. The double-layer polymer light-emitting diodes using 6a as emitters and a blend of poly(9,9-dioctylfluorene) and 2-(4-tert-butyl)-phenyl-5-biphenyl-1,3,4-oxadiazole as host matrix exhibit best performance with the maximum external quantum efficiency as high as 8.6% at 0.66 mA cm(-2). (C) 2009 Elsevier Ltd. All rights reserved.
• 371. Contributions to the chemistry of isoquinolines. Part II. The synthesis of chloro-amino-phenylisoquinolines in a search for new trypanocides
  作者：A. McCoubrey

  DOI：10.1039/jr9500001833

  日期：——