(E)-3-[3-(2-Oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl]-acrylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (E)-3-[3-(2-Oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl]-acrylic acid
• 英文别名: 3-[3-(2-Oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl]-acrylic acid；3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
• 化学式: C₂₁H₁₄N₂O₄
• 分子量: 358.353
• InChiKey: NVGWKXSWQUQHHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  81.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (E)-3-[3-(2-Oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl]-acrylic acid 在 Renay nickel sodium hydroxide 、 一水合肼 作用下， 以 乙醇 为溶剂， 以49%的产率得到3-[3-(2-Oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl]-propionic acid
  参考文献：
  名称：

  摘要：

  3-Aryl(heteryl)-4-formylpyrazoles by condensation with malonic acid furnish 3-[3-aryl(heteryl)pyrazol-4-yl]propenoic acids that in the presence of Raney nickel are reduced by hydrazine hydrate to 3-[3-aryl(heteryl)pyrazol-4-yl]propanoic acids. The successive conversion of both type acids into the corresponding acyl chlorides, esters, and amides was performed.

  DOI：

  10.1023/a:1020905727368
• 作为产物：
  描述：

  丙二酸 、 3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde 在 哌啶 、 吡啶 作用下， 反应 4.0h， 以66%的产率得到(E)-3-[3-(2-Oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl]-acrylic acid
  参考文献：
  名称：

  摘要：

  3-Aryl(heteryl)-4-formylpyrazoles by condensation with malonic acid furnish 3-[3-aryl(heteryl)pyrazol-4-yl]propenoic acids that in the presence of Raney nickel are reduced by hydrazine hydrate to 3-[3-aryl(heteryl)pyrazol-4-yl]propanoic acids. The successive conversion of both type acids into the corresponding acyl chlorides, esters, and amides was performed.

  DOI：

  10.1023/a:1020905727368

文献信息

• ——
  作者：M. K. Bratenko、V. A. Chornous、M. V. Vovk

  DOI：10.1023/a:1020905727368

  日期：——

  3-Aryl(heteryl)-4-formylpyrazoles by condensation with malonic acid furnish 3-[3-aryl(heteryl)pyrazol-4-yl]propenoic acids that in the presence of Raney nickel are reduced by hydrazine hydrate to 3-[3-aryl(heteryl)pyrazol-4-yl]propanoic acids. The successive conversion of both type acids into the corresponding acyl chlorides, esters, and amides was performed.