2-methyl-7-(4-methylphenyl)-4H-pyrido[3',2':4,5]thieno[3,2-d][1,3]oxazin-4-one | 1374993-91-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-methyl-7-(4-methylphenyl)-4H-pyrido[3',2':4,5]thieno[3,2-d][1,3]oxazin-4-one
• CAS: 1374993-91-5
• 化学式: C₁₇H₁₂N₂O₂S
• 分子量: 308.36
• InChiKey: HSWKOHFRGBRZPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.08
• 重原子数：
  22.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  55.99
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-methyl-7-(4-methylphenyl)-4H-pyrido[3',2':4,5]thieno[3,2-d][1,3]oxazin-4-one 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以64%的产率得到3-amino-2-methyl-7-(4-methylphenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-(3H)-one
  参考文献：
  名称：

  Synthesis and characterization of 6-(aryl)-2-thioxo-1,2-dihydropyridine-3-carbonitriles

  摘要：

  In the present study, 3-aminothieno[2,3-b] pyridines, pyrido[3',2' :4,5] thieno[3,2-d]pyrimidinones, and pyrido[3',2' : 4,5]thieno[3,2-d][1,3]oxazinones were prepared via the reaction of 6-(aryl)-2-thioxo-1,2-dihydropyridine-3-carbonitriles with active-halogen-containing compounds. The structures of all the newly synthesized heterocyclic compounds were established by considering elemental analysis and spectral data.[GRAPHICS].

  DOI：

  10.1080/17415993.2012.661734
• 作为产物：
  描述：

  {[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl}acetic acid 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 2-methyl-7-(4-methylphenyl)-4H-pyrido[3',2':4,5]thieno[3,2-d][1,3]oxazin-4-one
  参考文献：
  名称：

  Synthesis and characterization of 6-(aryl)-2-thioxo-1,2-dihydropyridine-3-carbonitriles

  摘要：

  In the present study, 3-aminothieno[2,3-b] pyridines, pyrido[3',2' :4,5] thieno[3,2-d]pyrimidinones, and pyrido[3',2' : 4,5]thieno[3,2-d][1,3]oxazinones were prepared via the reaction of 6-(aryl)-2-thioxo-1,2-dihydropyridine-3-carbonitriles with active-halogen-containing compounds. The structures of all the newly synthesized heterocyclic compounds were established by considering elemental analysis and spectral data.[GRAPHICS].

  DOI：

  10.1080/17415993.2012.661734