diacetylmonooxime 1'-phthalazinyl hydrazone | 1239614-64-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: diacetylmonooxime 1'-phthalazinyl hydrazone
• 英文别名: 1'-phthalazinyl hydrazone of diacetyl monooxime
• CAS: 1239614-64-2
• 化学式: C₁₂H₁₃N₅O
• 分子量: 243.268
• InChiKey: WJBTZBAVXQAWPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.27
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  82.76
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  盐酸肼屈嗪 、 二乙酰一肟 在 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 0.17h， 以72%的产率得到diacetylmonooxime 1'-phthalazinyl hydrazone
  参考文献：
  名称：

  1′-Phthalazine hydrazone of diacetyl monooxime and its complexes with transition metals: Physicochemical and theoretical study

  摘要：

  1'-Phthalazine hydrazone of diacetyl monooxime and its Cu(II) and Ni(II) complexes were synthesized. The acid-base properties of the hydrazone were potentiometrically and spectrophotometrically studied, and quantum-chemical calculations of the ionization constants and the energies of possible tautomeric forms and conformations were performed. Complexes of copper(II) prepared by the reaction of the hydrazone with copper(II) acetate, chloride, and bromide were shown to have the dimeric structure with the bidentatebridging N-O-groups of the oxime fragment, whereas the copper(II) complex prepared from copper(II) nitrate, forms the dimer via the endocyclic nitrogen atoms of the phthalazine fragment.

  DOI：

  10.1134/s1070363210030217