(E)-1-(4-(benzyloxy)benzylidene)-2-(4-nitrophenyl)hydrazine | 880349-09-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (E)-1-(4-(benzyloxy)benzylidene)-2-(4-nitrophenyl)hydrazine
• 英文别名: (1E)-1-[4-(benzyloxy)benzylidene]-2-(4-nitrophenyl)hydrazine；4-nitro-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]aniline
• CAS: 880349-09-7
• 化学式: C₂₀H₁₇N₃O₃
• 分子量: 347.373
• InChiKey: GJCOUEPHBYOHMP-KGENOOAVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  79.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (E)-1-(4-(benzyloxy)benzylidene)-2-(4-nitrophenyl)hydrazine 、 4-溴苯胺 在 盐酸 、 sodium nitrite 、 吡啶 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 5.0h， 以59%的产率得到(2Z,4E)-3-(4-(benzyloxy)phenyl)-5-(4-bromophenyl)-1-(4-nitrophenyl)formazan
  参考文献：
  名称：

  新型甲maz衍生物吸收性能的实验和计算研究

  摘要：

  通过将取代的苯hydr与4-溴苯胺的重氮盐偶联，合成了八种新型的3-（4-（苄氧基）苯基）-5-（4-溴苯基）-1-（4-取代的苯基）甲酰胺（4a-4h）。 。由取代的苯肼与4-（苄氧基）苯甲醛缩合获得中间体产物的取代的苯hydr。所有目标化合物均通过FTIR，$ ^ {1} $ H NMR，$ ^ {13} $ C NMR，LC $-$ MS光谱和元素分析进行​​表征。彻底研究了这些化合物在不同极性溶剂中的吸收光谱。进行了时变密度泛函理论（TD-DFT）研究，以阐明其电子结构，科恩-沙姆（Kohn-Sham）轨道和电子跃迁。

  DOI：

  10.3906/kim-1701-50
• 作为产物：
  描述：

  4-苄氧基苯甲醛 、 4-硝基苯肼 以 甲醇 为溶剂， 反应 2.0h， 以83%的产率得到(E)-1-(4-(benzyloxy)benzylidene)-2-(4-nitrophenyl)hydrazine
  参考文献：
  名称：

  新型甲maz衍生物吸收性能的实验和计算研究

  摘要：

  通过将取代的苯hydr与4-溴苯胺的重氮盐偶联，合成了八种新型的3-（4-（苄氧基）苯基）-5-（4-溴苯基）-1-（4-取代的苯基）甲酰胺（4a-4h）。 。由取代的苯肼与4-（苄氧基）苯甲醛缩合获得中间体产物的取代的苯hydr。所有目标化合物均通过FTIR，$ ^ {1} $ H NMR，$ ^ {13} $ C NMR，LC $-$ MS光谱和元素分析进行​​表征。彻底研究了这些化合物在不同极性溶剂中的吸收光谱。进行了时变密度泛函理论（TD-DFT）研究，以阐明其电子结构，科恩-沙姆（Kohn-Sham）轨道和电子跃迁。

  DOI：

  10.3906/kim-1701-50

文献信息

• Anti-Plasmodium activity of tetrazolium salts
  作者：Xilin Cui、Jason Z. Vlahakis、Ian E. Crandall、Walter A. Szarek

  DOI：10.1016/j.bmc.2007.11.005

  日期：2008.2.15

  We have previously reported that sulfated cyclodextrins inhibit the invasion of Plasmodium merozoites by interacting with receptors present on the surface of erythrocytes. The observation that tetrazolium salts formed stable complexes with the inhibitory sulfated cyclodextrins suggested that tetrazolium salts might have anti-Plasmodium activity as well. Evaluation of commercially available tetrazolium salts indicated that some were active in the low nanomolar range and showed specificity in their inhibition of Plasmodium. Synthesis of a further 54 structures allowed us to determine that activity results from an aromatic component attached to the tetrazolium carbon atom (R-1) and its size is not critical to the activity of the compound. Nitro modi. cations of active compounds are poorly tolerated, however, the presence of halogen atoms on aromatic groups attached to the nitrogen atoms of the tetrazolium ring (R-2 and R-3) has little effect on activity. Methoxy groups are tolerated on R-2 and R-3 components; however, they are disruptive on the R-1 component. The overall results suggest that the R-1 component is interacting with a specific hydrophobic environment and the R-2 and R-3 components are less constrained. The activity of these compounds in several human and mouse Plasmodium cultures suggests that the compounds interact with a component of the parasite that is both essential and conserved. (c) 2007 Elsevier Ltd. All rights reserved.
• Experimental and computational studies on the absorption properties of novel formazan derivatives
  作者：Gülşen TÜRKOĞLU、M. Emin ÇINAR

  DOI：10.3906/kim-1701-50

  日期：——

  mophenyl)-1-(4-substituted-phenyl)formazan (4a-4h) were synthesized by coupling of substituted phenylhydrazones with diazonium salts of 4-bromoaniline. The substituted phenylhydrazones, which are intermediate products, were obtained from the condensation of substituted phenylhydrazines with 4-(benzyloxy)benzaldehyde. All target compounds were characterized by using FTIR, $^1}$H NMR, $^13}$C NMR,

  通过将取代的苯hydr与4-溴苯胺的重氮盐偶联，合成了八种新型的3-（4-（苄氧基）苯基）-5-（4-溴苯基）-1-（4-取代的苯基）甲酰胺（4a-4h）。 。由取代的苯肼与4-（苄氧基）苯甲醛缩合获得中间体产物的取代的苯hydr。所有目标化合物均通过FTIR，$ ^ 1} $ H NMR，$ ^ 13} $ C NMR，LC $-$ MS光谱和元素分析进行​​表征。彻底研究了这些化合物在不同极性溶剂中的吸收光谱。进行了时变密度泛函理论（TD-DFT）研究，以阐明其电子结构，科恩-沙姆（Kohn-Sham）轨道和电子跃迁。