5,7-dimethyl-3-phenylazo-pyrazolo[1,5-a]pyrimidin-2-one | 62983-98-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 5,7-dimethyl-3-phenylazo-pyrazolo[1,5-a]pyrimidin-2-one
• 英文别名: 5,7-dimethyl-3-phenyldiazenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
• CAS: 62983-98-6
• 化学式: C₁₄H₁₃N₅O
• mdl: MFCD03298636
• 分子量: 267.29
• InChiKey: PTFOPVVIQROFDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 5,7-dimethyl-3-phenylazo-pyrazolo[1,5-a]pyrimidin-2-one 以 甲醇 为溶剂， 以60%的产率得到
  参考文献：
  名称：

  Co(II), Ni(II), Cu(II), and Cd(II) Complexes of Some New Arylazopyrazolopyrimidine Derivatives

  摘要：

  The metal ion complexes [Co(II), Ni(II), Cu(II) and Cd(II)] of some azopyrazolopyrimidine derivatives have been prepared and characterized using elemental analyses, molar conductivity, electronic and IR spectra. The azopyrazolopyrimidines are characterized by a high tendency towards complex formation with the neutral molecules coordinating to the metal ion as bidentate ligands. It is concluded that the ligands are bonded to the metal ion through the alpha- or beta-nitrogen atom of the arylazo group and the carbonyl oxygen of the pyrazolone ring where six- or five-membered chelate rings are formed. The apparent formation constants of the complexes in solution have been determined.

  DOI：

  10.1081/sim-120024314