[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl](4-methylphenyl)methanone | 1137525-79-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: [3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl](4-methylphenyl)methanone
• 英文别名: [3-Amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone
• CAS: 1137525-79-1
• 化学式: C₂₁H₁₅ClN₂OS
• 分子量: 378.882
• InChiKey: FCEAFNBWFBADEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-{[2-(4-methylphenyl)-2-oxoethyl]thio}-6-(4-chlorophenyl)pyridine-3-carbonitrile 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以69%的产率得到[3-amino-6-(4-chlorophenyl)thieno[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

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].