ethyl 5-acetyl-6-methyl-2-thioxo-1,2-dihydropyridine-3-carboxylate

• 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: ethyl 5-acetyl-6-methyl-2-thioxo-1,2-dihydropyridine-3-carboxylate
• 英文别名: Ethyl 5-acetyl-6-methyl-2-thioxo-1,2-dihydro-pyridine-3-carboxylate；ethyl 5-acetyl-6-methyl-2-sulfanylidene-1H-pyridine-3-carboxylate
• 化学式: C₁₁H₁₃NO₃S
• 分子量: 239.295
• InChiKey: FRFGCRZMDCQJKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  87.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 5-acetyl-6-methyl-2-thioxo-1,2-dihydropyridine-3-carboxylate 、 2'-溴-4-氯苯乙酮 在 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以77%的产率得到ethyl 5-acetyl-2-[2-(4-chlorophenyl)-2-oxoethylsulfanyl]-6-methylpyridine-3-carboxylate
  参考文献：
  名称：

  A simple one-pot synthesis of new 4-unsubstituted 2-oxo(thioxo)-1,2-dihydropyridine-3-carbonitriles, -3-carboxamides, and -3-carboxylic acid esters and 2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitriles

  摘要：

  One-pot condensations of formaldehyde with CH acids and enamines afforded new 4-unsubstituted derivatives of 2-oxo(thioxo)-1,2-dihydropyridine-3-carbonitrile, 2-oxo(thioxo)-1,2-dihydropyridine-3-carboxamide, ethyl 2-oxo(thioxo)-1,2-dihydropyridine-3-carboxylate, and 2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3- carbonitrile, which were subjected to alkylation.

  DOI：

  10.1134/s1070428015090146
• 作为产物：
  描述：

  硫代丙酰胺乙酯 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 0.25h， 生成 ethyl 5-acetyl-6-methyl-2-thioxo-1,2-dihydropyridine-3-carboxylate
  参考文献：
  名称：

  A simple one-pot synthesis of new 4-unsubstituted 2-oxo(thioxo)-1,2-dihydropyridine-3-carbonitriles, -3-carboxamides, and -3-carboxylic acid esters and 2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitriles

  摘要：

  One-pot condensations of formaldehyde with CH acids and enamines afforded new 4-unsubstituted derivatives of 2-oxo(thioxo)-1,2-dihydropyridine-3-carbonitrile, 2-oxo(thioxo)-1,2-dihydropyridine-3-carboxamide, ethyl 2-oxo(thioxo)-1,2-dihydropyridine-3-carboxylate, and 2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3- carbonitrile, which were subjected to alkylation.

  DOI：

  10.1134/s1070428015090146