2-cyano-2-(p-nitrobenzylidene)-p-methoxy acetanilide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-cyano-2-(p-nitrobenzylidene)-p-methoxy acetanilide
• 英文别名: 2-cyano-N-(4-methoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
• 化学式: C₁₇H₁₃N₃O₄
• 分子量: 323.308
• InChiKey: DXRQFXVZQQZRAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氰基-N-(4-甲氧基苯基)乙酰胺 、 对硝基苯甲醛 在 CuO/ZnO/Al2O3 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 2-cyano-2-(p-nitrobenzylidene)-p-methoxy acetanilide
  参考文献：
  名称：

  CuO / ZnO / Al 2 O 3粒子的合成，表征及其作为丙烯酰胺衍生物的催化剂

  摘要：

  在研究过程中，通过常规的熔融退火工艺制备了新型的CuO / ZnO / Al 2 O 3微晶玻璃。然后通过傅立叶变换光谱（FT-IR），X射线衍射仪（XRD），支持能量分散谱（EDAX）的扫描电子显微镜（SEM）和X射线绘图对合成的催化剂进行表征。然后在CuO / ZnO / Al 2 O 3存在下，通过2-氰基-对甲氧基乙苯胺和对硝基苯甲醛的高效一锅多组分反应，将合成的催化剂用于Knoevenagel型反应。无溶剂条件下使用催化剂。与先前使用哌啶合成的乙酰苯胺衍生物相比，发现在CuO / ZnO / Al 2 O 3催化剂存在下以合适的产率合适地合成了所产生的乙酰苯胺衍生物。最终产品还使用了由HUMO-LUMO通过密度泛函理论（DFT）计算的能隙来确认。

  DOI：

  10.1016/j.molstruc.2021.130664

文献信息

• Molecular geometry, synthesis and photovoltaic performance studies over 2-cyanoacetanilides as sensitizers and effective co-sensitizers for DSSCs loaded with HD-2
  作者：Mohamed R. Elmorsy、Ehab Abdel-Latif、Safa A. Badawy、Ahmed A. Fadda

  DOI：10.1016/j.jphotochem.2019.112239

  日期：2020.2

  The design, synthesis and photovoltaic performance of metal-free 2-cyanoacetanilide based organic dyes, SA1-6 have been reported as sensitizers/co-sensitizers in dye sensitized solar cells (DSSCs). All dyes possess the thermodynamic requirements to be applied in DSSCs. The DFT and TD-DFT calculations were completed using Guassian09 package software. The obtained results showed appropriate charge separation between the ground state oxidation potential (GSOP) and excited state oxidation potential (ESOP) levels of the dyes. In addition, there was a good a greement between the theoretical and experimental data. Over co-sensitization, SA1-6 exhibited better efficiency than the main sensitizer HD-2. Among the dyes we synthesized, SA1 displayed improved PCE of 8.02 % with increasing in both V-OC value of 0.682 V and J(SC) value of 20.33 mA/cm(2), whereas the DSSC fabricated with dye HD-2 alone showed PCE of 7.49 % with J(SC) of 19.01 mA/cm(2) and V-OC of 0.63 V. Finally, Electrochemical impedance spectroscopy measurements, beside electron lifetimes of SA1-6 and HD-2, were obtained and are in good agreements with the experimental photovoltaic parameters.
• Synthesis and characterization of nano CuO/ZnO/Al2O3 catalyst via Laser ablation route for the preparation of some cyanoacetanilide derivatives
  作者：Spectroscopy Conference

  DOI：10.21608/ejchem.2021.103671.4798

  日期：2021.12.7
• Synthesis and characterization of CuO/ZnO/Al2O3 particles and its utilization as a catalyst for acrylamide derivatives
  作者：A.M. Abdelghany、A.M. Sarhan、E. Abdel-Latif、F.I. El-Dossoki

  DOI：10.1016/j.molstruc.2021.130664

  日期：2021.10

  one-pot multicomponent reaction of 2-cyano-p-methoxyacetanilide and p-nitrobenzaldehyde in the presence of CuO/ZnO/Al2O3 catalyst under solvent-free condition. The produced acetanilide derivative was found to be suitably synthesized with excellent yields in the presence of CuO/ZnO/Al2O3 catalyst compared with that previously synthesized using piperidine. The final product was also confirmed using an energy

  在研究过程中，通过常规的熔融退火工艺制备了新型的CuO / ZnO / Al 2 O 3微晶玻璃。然后通过傅立叶变换光谱（FT-IR），X射线衍射仪（XRD），支持能量分散谱（EDAX）的扫描电子显微镜（SEM）和X射线绘图对合成的催化剂进行表征。然后在CuO / ZnO / Al 2 O 3存在下，通过2-氰基-对甲氧基乙苯胺和对硝基苯甲醛的高效一锅多组分反应，将合成的催化剂用于Knoevenagel型反应。无溶剂条件下使用催化剂。与先前使用哌啶合成的乙酰苯胺衍生物相比，发现在CuO / ZnO / Al 2 O 3催化剂存在下以合适的产率合适地合成了所产生的乙酰苯胺衍生物。最终产品还使用了由HUMO-LUMO通过密度泛函理论（DFT）计算的能隙来确认。