2,4-dimethyl-6-phenyl-2H-[1,2,4]triazine-3,5-dione | 37526-40-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 2,4-dimethyl-6-phenyl-2H-[1,2,4]triazine-3,5-dione
• 英文别名: 2,4-Dimethyl-6-phenyl-2H-[1,2,4]triazin-3,5-dion；2,4-dimethyl-6-phenyl-1,2,4-triazin-3,5-dione；2,4-Dimethyl-6-phenyl-3,5-dioxo-2,3,4,5-tetrahydro-triazine；2,4-dimethyl-6-phenyl-1,2,4-triazine-3,5-dione
• CAS: 37526-40-2
• 化学式: C₁₁H₁₁N₃O₂
• 分子量: 217.227
• InChiKey: GCAFLJIYOGRKIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  53
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  氯甲酸甲酯 、 (2E)-N-methyl-2-(methylhydrazinylidene)-2-phenylacetamide 在 sodium hydride 作用下， 生成 2,4-dimethyl-6-phenyl-2H-[1,2,4]triazine-3,5-dione
  参考文献：
  名称：

  SYNTHESE DE TETRAHYDRO-1,2,4-TRIAZINE-3,5-DIONES ET DE LEURS HOMOLOGUES SOUFRES

  摘要：

  2-Hydrazonophenylacetamides and thioacetamides derived from amides (or thioamides) and hydrazines N-monosubstituted are deprotonated by sodium hydride and acylated by methyl chloroformate. Spontaneous ring closure gives rise to the tetrahydro-1,2,4-triazine-3,5-diones and 5-thioxotetrahydro-1,2,4-triazin-3-ones. Under these conditions, chlorothioformylation of a 2-hydrazonophenylacetamide using thiophosgene leads to a 3-thioxotetrahydro-1,2,4-triazin-5-one. The transformation of the carbonyl groups into thiocarbonyl is described.

  DOI：

  10.1080/10426509708031566

文献信息

• SYNTHESE DE TETRAHYDRO-1,2,4-TRIAZINE-3,5-DIONES ET DE LEURS HOMOLOGUES SOUFRES
  作者：M. J. Gil、A. Reliquet、J. C. Meslin

  DOI：10.1080/10426509708031566

  日期：1997.9

  2-Hydrazonophenylacetamides and thioacetamides derived from amides (or thioamides) and hydrazines N-monosubstituted are deprotonated by sodium hydride and acylated by methyl chloroformate. Spontaneous ring closure gives rise to the tetrahydro-1,2,4-triazine-3,5-diones and 5-thioxotetrahydro-1,2,4-triazin-3-ones. Under these conditions, chlorothioformylation of a 2-hydrazonophenylacetamide using thiophosgene leads to a 3-thioxotetrahydro-1,2,4-triazin-5-one. The transformation of the carbonyl groups into thiocarbonyl is described.