4,6-Dimethyl-5-(2-oxo-2-phenyl-ethyl)-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile | 186337-12-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,6-Dimethyl-5-(2-oxo-2-phenyl-ethyl)-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile
• 英文别名: 4,6-dimethyl-5-phenacyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
• CAS: 186337-12-2
• 化学式: C₁₆H₁₄N₂OS
• 分子量: 282.366
• InChiKey: SCHJUZRUZSUCHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  85
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-溴苯乙酮 、 4,6-Dimethyl-5-(2-oxo-2-phenyl-ethyl)-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile 在 氢氧化钾 作用下， 以 水 为溶剂， 以68%的产率得到2-(3-Amino-2-benzoyl-4,6-dimethyl-thieno[2,3-b]pyridin-5-yl)-1-phenyl-ethanone
  参考文献：
  名称：

  Synthesis of 4,5,6-trisubstituted 3-cyanopyridine-2(1H)-thiones based on ?-substituted ?-diketones

  摘要：

  5-Substituted 3-cyano-4,6-dimethylpyridine-2(1H)-thiones were synthesized by the reaction of alpha-substituted beta-diketones with cyanothioacetamide in the presence of triethylamine. The compounds synthesized were converted into thieno[2,3-b]pyridines by treatment with organic halides and KOH.

  DOI：

  10.1007/bf01431119
• 作为产物：
  描述：

  2-氰基硫代乙酰胺 、 3-acetyl-1-phenyl-pentane-1,4-dione 在 三乙胺 作用下， 以 乙醇 为溶剂， 以40%的产率得到4,6-Dimethyl-5-(2-oxo-2-phenyl-ethyl)-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile
  参考文献：
  名称：

  Synthesis of 4,5,6-trisubstituted 3-cyanopyridine-2(1H)-thiones based on ?-substituted ?-diketones

  摘要：

  5-Substituted 3-cyano-4,6-dimethylpyridine-2(1H)-thiones were synthesized by the reaction of alpha-substituted beta-diketones with cyanothioacetamide in the presence of triethylamine. The compounds synthesized were converted into thieno[2,3-b]pyridines by treatment with organic halides and KOH.

  DOI：

  10.1007/bf01431119

文献信息

• Synthesis of 4,5,6-trisubstituted 3-cyanopyridine-2(1H)-thiones based on ?-substituted ?-diketones
  作者：N. G. Frolova、V. K. Zav'yalova、V. P. Litvinov

  DOI：10.1007/bf01431119

  日期：1996.11

  5-Substituted 3-cyano-4,6-dimethylpyridine-2(1H)-thiones were synthesized by the reaction of alpha-substituted beta-diketones with cyanothioacetamide in the presence of triethylamine. The compounds synthesized were converted into thieno[2,3-b]pyridines by treatment with organic halides and KOH.