3,6-dihydroxy-6-methyl-4-(3-pyridyl)-N-phenyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,6-dihydroxy-6-methyl-4-(3-pyridyl)-N-phenyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxamide
• 英文别名: 3,6-dihydroxy-6-methyl-N-phenyl-4-(pyridin-3-yl)-4,5,6,7-tetrahydro-2H-indazole-5-carboxamide；6-hydroxy-6-methyl-3-oxo-N-phenyl-4-pyridin-3-yl-2,4,5,7-tetrahydro-1H-indazole-5-carboxamide
• 化学式: C₂₀H₂₀N₄O₃
• mdl: MFCD30711847
• 分子量: 364.404
• InChiKey: AMYIAQLYPPTENE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  103
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-hydroxy-6-methyl-4-oxo-2-(3-pyridyl)-N,N'-diphenylcyclohexane-1,3-dicarboxamide 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以69%的产率得到3,6-dihydroxy-6-methyl-4-(3-pyridyl)-N-phenyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxamide
  参考文献：
  名称：

  Synthesis of N,N′,2-triaryl-6-hydroxy-6-methyl-4-oxocyclohexane-1,3-dicarboxamides and their reactions with p-toluidine and hydrazine hydrate

  摘要：

  Reaction of N-arylacetoacetamides with aromatic aldehydes in the presence of piperidine in ethanol afforded N,N',2-triaryl-6-hydroxy-6-methyl-4-oxocyclohexane-1,3-dicarboxamides. The latter reacted with p-toluidine leading to the formation of dehydration products. Reactions of N,N',2-triaryl-6-hydroxy-6-methyl-4-oxocyclohexane-1,3-dicarboxamides with hydrazine hydrate and cyanoacetic acid hydrazide gave rise to tetrahydroindazoles. Some of the obtained compounds showed antimicrobial activity.

  DOI：

  10.1134/s1070363215010089