ethyl 4-methyl-5-[1-phenyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-1-(4-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate | 1427534-56-2

• 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-methyl-5-[1-phenyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-1-(4-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
• 英文别名: Ethyl 4-methyl-5-[1-phenyl-3-(4-chlorophenyl)-1h-pyrazol-4-yl]-1-(4-chlorophenyl)-4,5-dihydro-1h-1,2,4-triazole-3-carboxylate；ethyl 2-(4-chlorophenyl)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-4-methyl-3H-1,2,4-triazole-5-carboxylate
• CAS: 1427534-56-2
• 化学式: C₂₇H₂₃Cl₂N₅O₂
• 分子量: 520.418
• InChiKey: AKWSGMQRZVQRDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  63
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  、 ethyl 2-chloro[(4-chlorophenyl)hydrazono]acetate 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 0.5h， 以64%的产率得到ethyl 4-methyl-5-[1-phenyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-1-(4-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
  参考文献：
  名称：

  4-functionally substituted 3-hetarylpyrazoles: XX. Synthesis of derivatives of 5-(pyrasol-4-yl)-1,2,4-triazole and 3-(pyrazol-4-yl)-1,2,4-triazolo[3,4-c][1,4]oxazine

  摘要：

  N-Methylimines of 3-aryl-1-phenylpyrazole-4-carbaldehyde react with ethyl 2-aryl-hydrazino-2-chloroacetate with the formation of ethyl 1-aryl-5-(pyrazole-4-yl)-4,5-dihydro-1H-1,2,4-triazolecarboxylates. Analogous reactions of pyrazol-4-carbaldehyde N-(2-hydroxy)ethylimines results in derivatives of 3-(pyrazol-4-yl)-1,2,4-triazolo[3,4-c][1,4]-oxazines.

  DOI：

  10.1134/s107042801302019x

文献信息

• 4-functionally substituted 3-hetarylpyrazoles: XX. Synthesis of derivatives of 5-(pyrasol-4-yl)-1,2,4-triazole and 3-(pyrazol-4-yl)-1,2,4-triazolo[3,4-c][1,4]oxazine
  作者：M. K. Bratenko、N. V. Panasenko、M. V. Vovk

  DOI：10.1134/s107042801302019x

  日期：2013.2

  N-Methylimines of 3-aryl-1-phenylpyrazole-4-carbaldehyde react with ethyl 2-aryl-hydrazino-2-chloroacetate with the formation of ethyl 1-aryl-5-(pyrazole-4-yl)-4,5-dihydro-1H-1,2,4-triazolecarboxylates. Analogous reactions of pyrazol-4-carbaldehyde N-(2-hydroxy)ethylimines results in derivatives of 3-(pyrazol-4-yl)-1,2,4-triazolo[3,4-c][1,4]-oxazines.