2-(乙硫基)-4-(4-羟基苯基)-6-氧代-1,4,5,6-四氢-3-吡啶甲腈 | 264254-92-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-(乙硫基)-4-(4-羟基苯基)-6-氧代-1,4,5,6-四氢-3-吡啶甲腈
• 英文名称: 5-cyano-6-ethylthio-4-(4-hydroxyphenyl)-1,2,3,4-tetrahydropyridin-2-one
• 英文别名: 2-(Ethylsulfanyl)-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile；6-ethylsulfanyl-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
• CAS: 264254-92-4
• 化学式: C₁₄H₁₄N₂O₂S
• 分子量: 274.343
• InChiKey: UCUOILARXZVKQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  98.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  碘乙烷 、 N-methylmorpholinium 5-cyano-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolate 以 乙醇 为溶剂， 反应 12.0h， 以84%的产率得到2-(乙硫基)-4-(4-羟基苯基)-6-氧代-1,4,5,6-四氢-3-吡啶甲腈
  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

文献信息

• Synthesis and alkylation ofN-methylmorpholinium 5-cyano-4-(3- and 4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolates
  作者：S. G. Krivokolysko、V. D. Dyachenko、V. P. Litvinov

  DOI：10.1007/bf02498278

  日期：1999.12

  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.