ethyl 4-[(E)-2-(6,8-dimethyl-4-oxo-4H-chromen-2-yl)ethenyl]-1-phenyl-1H-pyrazole-3-carboxylate | 1193086-60-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 4-[(E)-2-(6,8-dimethyl-4-oxo-4H-chromen-2-yl)ethenyl]-1-phenyl-1H-pyrazole-3-carboxylate
• 英文别名: Ethyl 4-[(e)-2-(6,8-dimethyl-4-oxo-4hchromen-2-yl)ethenyl]-1-phenyl-1h-pyrazole-3-carboxylate；ethyl 4-[(E)-2-(6,8-dimethyl-4-oxochromen-2-yl)ethenyl]-1-phenylpyrazole-3-carboxylate
• CAS: 1193086-60-0
• 化学式: C₂₅H₂₂N₂O₄
• 分子量: 414.461
• InChiKey: RXHRWVVFIFYLGV-ZHACJKMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  70.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 硫酸 作用下， 以 溶剂黄146 为溶剂， 反应 1.0h， 以2.15 g的产率得到ethyl 4-[(E)-2-(6,8-dimethyl-4-oxo-4H-chromen-2-yl)ethenyl]-1-phenyl-1H-pyrazole-3-carboxylate
  参考文献：
  名称：

  Synthesis and reactions of 3-(3-ethoxycarbonyl-1-phenyl-1H-pyrazol-4-yl)propenic acid

  摘要：

  The reaction of ethyl 4-formyl-1-phenyl-1H-pyrazole-3-carboxylate with the malonic acid led to the formation (2E)-3-(3-ethoxycarbonyl-1-phenyl-1H-pyrazol-4-yl)propenic acid. In reactions of this acid chloride with 4-amino-5-aryl(hetaryl)-4H-1,2,4-triazole-3-thiols were obtained ethyl 4-[(E)-2-{3-aryl(hetaryl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethenyl]-1-phenyl-1H-pyrazoe-3-carboxylates, with 5-aryltetrazoles, ethyl 4-[(E)-2-(5-aryl-1,3,4-oxadiazol-2-yl)-ethenyl]-1-phenyl-1H-pyrazole-3-carboxylates, with 1-(2-hydroxy-3,5-dimethylphenyl) followed by the Baker-Venkataraman rearrangement and the cyclization, ethyl 4-[(E)-2-(6,8-dimethyl-4-oxo-4Hchromen-2-yl)ethenyl]-1-phenyl-1H-pyrazole-3-carboxylate.

  DOI：

  10.1134/s107042800905011x