N'-异亚丙基-4-甲基-1H-咪唑-5-甲酰肼 | 308305-50-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: N'-异亚丙基-4-甲基-1H-咪唑-5-甲酰肼
• 英文名称: (isopropylidene)-5-methyl-imidazole-4-carbohydrazide
• 英文别名: 5-methyl-N-(propan-2-ylideneamino)-1H-imidazole-4-carboxamide
• CAS: 308305-50-2
• 化学式: C₈H₁₂N₄O
• 分子量: 180.209
• InChiKey: BZZZJLWTGRGVCY-UHFFFAOYSA-N

物化性质

• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  70.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N'-异亚丙基-4-甲基-1H-咪唑-5-甲酰肼 、 3,5-二叔丁基-4-羟基苯甲醛 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 20.0h， 以60%的产率得到(3,5-di-tert-butyl-4-hydroxybenzylidene)-5-methyl-imidazole-4-carbohydrazide
  参考文献：
  名称：

  Design and Synthesis of Novel Potent Antinociceptive Agents: Methyl-imidazolyl N-Acylhydrazone Derivatives

  摘要：

  This paper describes recent results of design, synthesis and pharmacological evaluation of new N-heterocyclic functionalized N-acylhydrazone compounds, belonging to the 2-methyl-imidazolyl-3-acylhydrazone class (4a-e). These compounds were planned by applying the molecular simplification strategy to propose the structural modifications on the previously described functionalized imidazo[1,2-a]pyridine 3-acylhydrazone series (2), which presented an important analgesic profile. This new series (4) was synthesized in order to investigate the possible pharmacophoric contribution of the N-heteroaromatic ring and N-acylhydrazone moieties to the analgesic activity. Compounds 4a-b are the most potent antinociceptive agents from this series. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00152-8
• 作为产物：
  描述：

  4-羟甲基-5-甲基咪唑 在 盐酸 、 manganese(IV) oxide 、 氰化钠 、 一水合肼 作用下， 以 乙醇 、 水 为溶剂， 反应 26.0h， 生成 N'-异亚丙基-4-甲基-1H-咪唑-5-甲酰肼
  参考文献：
  名称：

  Design and Synthesis of Novel Potent Antinociceptive Agents: Methyl-imidazolyl N-Acylhydrazone Derivatives

  摘要：

  This paper describes recent results of design, synthesis and pharmacological evaluation of new N-heterocyclic functionalized N-acylhydrazone compounds, belonging to the 2-methyl-imidazolyl-3-acylhydrazone class (4a-e). These compounds were planned by applying the molecular simplification strategy to propose the structural modifications on the previously described functionalized imidazo[1,2-a]pyridine 3-acylhydrazone series (2), which presented an important analgesic profile. This new series (4) was synthesized in order to investigate the possible pharmacophoric contribution of the N-heteroaromatic ring and N-acylhydrazone moieties to the analgesic activity. Compounds 4a-b are the most potent antinociceptive agents from this series. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00152-8