6-carbamoylmethylthio-5-cyano-4-(4-hydroxyphenyl)-1,2,3,4-tetrahydropyridin-2-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 6-carbamoylmethylthio-5-cyano-4-(4-hydroxyphenyl)-1,2,3,4-tetrahydropyridin-2-one
• 英文别名: 2-{[3-Cyano-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide；2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
• 化学式: C₁₄H₁₃N₃O₃S
• 分子量: 303.342
• InChiKey: SYXXUBAZUUHBIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  142
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-methylmorpholinium 5-cyano-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolate 、 氯乙酰胺 以 乙醇 为溶剂， 反应 12.0h， 以66%的产率得到6-carbamoylmethylthio-5-cyano-4-(4-hydroxyphenyl)-1,2,3,4-tetrahydropyridin-2-one
  参考文献：
  名称：

  Synthesis and alkylation ofN-methylmorpholinium 5-cyano-4-(3- and 4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolates

  摘要：

  The reactions of 3- or 4-hydroxybenzaldehydes with cyanothioacetamide and Meldrum's acid in the presence of N-methylmorpholine afforded N-methylmorpholinium 5-cyano-4-(3or 4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolates, respectively. The resulting compounds were used in the synthesis of substituted 6-alkylthio-1,2,3,4-tetrahydropyridin-2-ones.

  DOI：

  10.1007/bf02498278