5-amino-1-(4-methyl-6-oxo-1,6-dihydro-pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile | 90324-30-4

• 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: 5-amino-1-(4-methyl-6-oxo-1,6-dihydro-pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile
• 英文别名: 5-amino-1-(4-hydroxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-carbonitrile；5-amino-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile
• CAS: 90324-30-4
• 化学式: C₉H₈N₆O
• mdl: MFCD09276837
• 分子量: 216.202
• InChiKey: MZVUEGXODZWHEF-UHFFFAOYSA-N

物化性质

• 熔点：
  260-261 °C
• 沸点：
  558.8±60.0 °C(Predicted)
• 密度：
  1.59±0.1 g/cm3(Predicted)
• 溶解度：
  30.3 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• PROCESS FOR PRODUCING 5-AMINOPYRAZOLE DERIVATIVE, AND AZO DYE
  申请人：Tateishi Keiichi

  公开号：US20100063262A1

  公开（公告）日：2010-03-11

  A process for producing a 5-aminopyrazole derivative represented by Formula (I) includes a step of reacting a hydrazine compound represented by Formula (II) with a compound represented by Formula (III) under a condition satisfying Reaction Condition 1 and Reaction Condition 2, wherein Reaction Condition 1 is that the reaction is conducted in a reaction solvent containing water, and Reaction Condition 2 is that pH of a liquid mixture containing the hydrazine compound represented by Formula (II), the compound represented by Formula (III), the reaction solvent, and an acidifying agent upon charging is within a range of from 2.0 to 4.0 at 25° C.: wherein the symbols in the formulae (I) to (III) are defined in the specification.
• US8765953B2
  申请人：——

  公开号：US8765953B2

  公开（公告）日：2014-07-01