Ethyl 3-(2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate | 1360084-68-9

• 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 3-(2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate
• CAS: 1360084-68-9
• 化学式: C₁₉H₁₈N₂O₃
• 分子量: 322.364
• InChiKey: KGYLKGSWJRADDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  64.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-丁炔酸乙酯 、 2-hydroxybenzaldehyde phenylhydrazone 在 mercury(II) diacetate 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 Ethyl 3-(2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate
  参考文献：
  名称：

  One-Pot Tandem Synthesis of Tetrasubstituted Pyrazoles via 1,3-Dipolar Cycloaddition Between Aryl Hydrazones and Ethyl But-2-ynoate

  摘要：

  1,3,4,5-Tetrasubstituted pyrazoles are rapidly and regioselectively synthesized in a one-pot, three-step sequence consisting of condensation, nitrilimine generation, and cycloaddition using mercuric acetate. Newly synthesized compounds were characterized by spectral studies. Regiochemistry of compounds 6a and 8a was determined as 1,4- and 1,5-regioisomers respectively by X-ray crystallography.

  DOI：

  10.1080/00397911.2014.891744