2-hydroxy-4-methylacetophenone semicarbazone | 90871-78-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-hydroxy-4-methylacetophenone semicarbazone
• 英文别名: Semicarbazon des 2-Hydroxy-4-methyl-acetophenons；1-(2-hydroxy-4-methyl-phenyl)-ethanone semicarbazone；1-(2-Hydroxy-4-methyl-phenyl)-aethanon-semicarbazon；[1-(2-hydroxy-4-methylphenyl)ethylideneamino]urea
• CAS: 90871-78-6
• 化学式: C₁₀H₁₃N₃O₂
• 分子量: 207.232
• InChiKey: OGDCPIQUOLOBKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  87.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-hydroxy-4-methylacetophenone semicarbazone 在 selenium(IV) oxide 作用下， 以 溶剂黄146 为溶剂， 反应 4.5h， 以70%的产率得到4-(2-hydroxy-4-methylphenyl)-1,2,3-selenadiazole
  参考文献：
  名称：

  摘要：

  The reaction of selenium dioxide with o-hydroxyacetophenone semicarbazones gives 4-(2-hydroxyaryl)-1,2,3-selenadiazoles which undergo ready decomposition by the action of potassium carbonate to form benzofuran-2-selenolates. The latter can be alkylated with methyl iodide and benzyl chloride and arylated with 2,4-dinitrochlorobenzene. Intermediate formation of 2-(o-hydroxyphenyl)ethyneselenolate during decomposition of 1,2,3-selenadiazoles was proved by the isolation of methyl o-methoxyphenylethynyl selenide when the substrate was treated with potassium carbonate in the presence of methyl iodide.

  DOI：

  10.1023/a:1013832925639