5-acetyl-4-(4-hydroxyphenyl)-2-carbamoyl-ethylsulfanyl-1,4-dihydropyridine-3-carbonitrile | 5314-25-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-acetyl-4-(4-hydroxyphenyl)-2-carbamoyl-ethylsulfanyl-1,4-dihydropyridine-3-carbonitrile
• 英文别名: 2-[[5-Acetyl-3-cyano-4-(4-hydroxyphenyl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetamide
• CAS: 5314-25-0
• 化学式: C₁₇H₁₇N₃O₃S
• 分子量: 343.406
• InChiKey: NEABKTURJUDSHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  142
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  morpholinium 5-acetyl-4-(4-hydroxyphenyl)-6-methyl-3-cyano-1,4-dihydropyridine-2-thiolate 、 氯乙酰胺 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以71%的产率得到5-acetyl-4-(4-hydroxyphenyl)-2-carbamoyl-ethylsulfanyl-1,4-dihydropyridine-3-carbonitrile
  参考文献：
  名称：

  New synthetic method for functionally substituted morpholinium 1,4-dihydropyridine-2-thiolates and their derivatives

  摘要：

  By condensation of aromatic aldehydes with cyanothioacetamide and enamines of 1,3-dicarbonyl compounds functionally substituted morpholinium 1,4-dihydropyridine-2-thiolates were obtained applied to the synthesis of 2-alkylsulfanyl-1,4-dihydropyridines, 1,4-dillydrothieno[2,3-b]-pyridines, and 2,3,4,7-tetra-hydrothiazolo[3,2-a]pyridine.

  DOI：

  10.1134/s1070428007020194

文献信息

• New synthetic method for functionally substituted morpholinium 1,4-dihydropyridine-2-thiolates and their derivatives
  作者：V. D. Dyachenko

  DOI：10.1134/s1070428007020194

  日期：2007.2

  By condensation of aromatic aldehydes with cyanothioacetamide and enamines of 1,3-dicarbonyl compounds functionally substituted morpholinium 1,4-dihydropyridine-2-thiolates were obtained applied to the synthesis of 2-alkylsulfanyl-1,4-dihydropyridines, 1,4-dillydrothieno[2,3-b]-pyridines, and 2,3,4,7-tetra-hydrothiazolo[3,2-a]pyridine.