4-Aethoxy-4'-nitro-chalkon | 39059-89-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 4-Aethoxy-4'-nitro-chalkon
• 英文别名: 3-(4-Nitro-phenyl)-1-(4-ethoxy-phenyl)-propen-(1)-on-(3)；3-(4-Ethoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
• CAS: 39059-89-7
• 化学式: C₁₇H₁₅NO₄
• 分子量: 297.31
• InChiKey: PRRBEEGVLMLVEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Aethoxy-4'-nitro-chalkon 在 一水合肼 作用下， 以 水 为溶剂， 反应 2.35h， 以87.35%的产率得到
  参考文献：
  名称：

  Biosynthesis of ZrO ₂ for ZrO ₂ @Ag‐S‐CH ₂ COOH as the retrievable catalyst for the one‐pot green synthesis of pyrazoline derivatives and their anticancer evaluation

  摘要：

  AbstractIn the present work,Ficus benghalensisleaf extract was used for the synthesis of ZrO2nanoparticles. Further, ZrO2@Ag‐S‐CH2‐COOH was synthesized using biosynthesized ZrO2, and its catalytic potential was examined in the synthesis of pyrazoline from reaction of chalcone and hydrazine hydrate at room temperature. The structural conformation of ZrO2@Ag‐S‐CH2‐COOH has been done using FT‐IR, SEM, EDX, XRD, TGA‐TDA, XPS, and DLS techniques, high turnover number (TON), and high turnover frequency. The ZrO2@Ag‐S‐CH2‐COOH demonstrated outstanding catalytic activity for the synthesis of pyrazolines. The structures of the pyrazoline derivatives were confirmed by FT‐IR,1H and13C NMR, and mass spectrometry techniques. Synthesized pyrazoline were tested for anticancer activity against human lung cancer cell line A549 study and confirmed by molecular docking investigations.

  DOI：

  10.1002/aoc.6666
• 作为产物：
  描述：

  4-乙氧基苯甲醛 、 对硝基苯乙酮 生成 4-Aethoxy-4'-nitro-chalkon
  参考文献：
  名称：

  Biosynthesis of ZrO ₂ for ZrO ₂ @Ag‐S‐CH ₂ COOH as the retrievable catalyst for the one‐pot green synthesis of pyrazoline derivatives and their anticancer evaluation

  摘要：

  AbstractIn the present work,Ficus benghalensisleaf extract was used for the synthesis of ZrO2nanoparticles. Further, ZrO2@Ag‐S‐CH2‐COOH was synthesized using biosynthesized ZrO2, and its catalytic potential was examined in the synthesis of pyrazoline from reaction of chalcone and hydrazine hydrate at room temperature. The structural conformation of ZrO2@Ag‐S‐CH2‐COOH has been done using FT‐IR, SEM, EDX, XRD, TGA‐TDA, XPS, and DLS techniques, high turnover number (TON), and high turnover frequency. The ZrO2@Ag‐S‐CH2‐COOH demonstrated outstanding catalytic activity for the synthesis of pyrazolines. The structures of the pyrazoline derivatives were confirmed by FT‐IR,1H and13C NMR, and mass spectrometry techniques. Synthesized pyrazoline were tested for anticancer activity against human lung cancer cell line A549 study and confirmed by molecular docking investigations.

  DOI：

  10.1002/aoc.6666