4,5-diamino-6-methylpyridazin-3(2H)-one | 28682-90-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4,5-diamino-6-methylpyridazin-3(2H)-one
• 英文别名: 4,5-diamino-6-methyl-2H-pyridazin-3-one；4,5-Diamino-6-methyl-3(2H)-pyridazinon；4,5-Diamino-6-methylpyridazin-3-one；4,5-diamino-3-methyl-1H-pyridazin-6-one
• CAS: 28682-90-8
• 化学式: C₅H₈N₄O
• mdl: MFCD19206040
• 分子量: 140.145
• InChiKey: DXWIEGCWBCZPQJ-UHFFFAOYSA-N

物化性质

• 密度：
  1.67±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  93.5
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-乙基-2-甲基-吡啶 、 4,5-diamino-6-methylpyridazin-3(2H)-one 在 sulfur 作用下， 以62%的产率得到2-(5-Ethylpyridin-2-yl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one
  参考文献：
  名称：

  摘要：

  Substituted 2-aryl- and 2-hetarylimidazo[4,5-d]pyridazines were synthesized by oxidative cyclization in the presence of sulfur of 4,5-diamino-6-methylpyridazin-3-one with substituted arene(hetarene)carbaldehydes or heterocyclic compounds having an activated methyl group.

  DOI：

  10.1023/a:1012490919797
• 作为产物：
  描述：

  6-methyl-4-nitroaminopyridazin-3(2H)-one 在 硫酸 、 铁粉 、 溶剂黄146 作用下， 反应 19.0h， 生成 4,5-diamino-6-methylpyridazin-3(2H)-one
  参考文献：
  名称：

  摘要：

  Substituted 2-aryl- and 2-hetarylimidazo[4,5-d]pyridazines were synthesized by oxidative cyclization in the presence of sulfur of 4,5-diamino-6-methylpyridazin-3-one with substituted arene(hetarene)carbaldehydes or heterocyclic compounds having an activated methyl group.

  DOI：

  10.1023/a:1012490919797

文献信息

• ——
  作者：S. V. Gres'ko、N. N. Smolyar、Yu. M. Yutilov

  DOI：10.1023/a:1012490919797

  日期：——

  Substituted 2-aryl- and 2-hetarylimidazo[4,5-d]pyridazines were synthesized by oxidative cyclization in the presence of sulfur of 4,5-diamino-6-methylpyridazin-3-one with substituted arene(hetarene)carbaldehydes or heterocyclic compounds having an activated methyl group.