2-{[2-(4-methylphenyl)-2-oxoethyl]thio}-6-phenylpyridine-3-carbonitrile | 310456-46-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-{[2-(4-methylphenyl)-2-oxoethyl]thio}-6-phenylpyridine-3-carbonitrile
• 英文别名: 2-{[2-(4-Methylphenyl)-2-oxoethyl]sulfanyl}-6-phenylpyridine-3-carbonitrile；2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-6-phenylpyridine-3-carbonitrile
• CAS: 310456-46-3
• 化学式: C₂₁H₁₆N₂OS
• mdl: MFCD00487122
• 分子量: 344.437
• InChiKey: UBSGRYFBBYTKRF-UHFFFAOYSA-N

物化性质

• 沸点：
  549.5±50.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  79
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-{[2-(4-methylphenyl)-2-oxoethyl]thio}-6-phenylpyridine-3-carbonitrile 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以76%的产率得到(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)(4-methylphenyl)methanone
  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：

  6-phenyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile 、 2-溴-4'-甲基苯乙酮 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 0.25h， 以83%的产率得到2-{[2-(4-methylphenyl)-2-oxoethyl]thio}-6-phenylpyridine-3-carbonitrile
  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

文献信息

• Synthesis and characterization of 6-(aryl)-2-thioxo-1,2-dihydropyridine-3-carbonitriles
  作者：Fawzy A. Attaby、Ahmed H. El-Ghandour、Abdelwahed R. Sayed、Ashraf A. El Bassuony、Ahmed A.M. El-Reedy

  DOI：10.1080/17415993.2012.661734

  日期：2012.4.1

  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].