2,2-dimethyl-3-[(4-methylphenyl)amino]-7-(4-methylsulfanylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-thiazolo[3,2-a]pyridine-8-carbonitrile | 1393330-95-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,2-dimethyl-3-[(4-methylphenyl)amino]-7-(4-methylsulfanylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-thiazolo[3,2-a]pyridine-8-carbonitrile
• 英文别名: 2,2-dimethyl-3-(4-methylanilino)-7-(4-methylsulfanylphenyl)-5-oxo-6,7-dihydro-3H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
• CAS: 1393330-95-4
• 化学式: C₂₄H₂₅N₃OS₂
• 分子量: 435.614
• InChiKey: BQAKAMHHKQBVHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-methylmorpholine;4-(4-methylsulfanylphenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile 、 乙烷,三氯氟- 、 异丁醛 以 乙醇 为溶剂， 以38%的产率得到2,2-dimethyl-3-[(4-methylphenyl)amino]-7-(4-methylsulfanylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-thiazolo[3,2-a]pyridine-8-carbonitrile
  参考文献：
  名称：

  Mannich reaction in the synthesis of N,S-containing heterocycles. 14*. Unexpected formation of thiazolo[3,2-a]pyridines in the aminoalkylation of N-methylmorpholinium 4-aryl-3-cyano-6-oxo-1,4,5,6-tetrahydropyridine-2-thiolates by isobutyraldehyde and primary amines

  摘要：

  Treatment of N-methylmorpholinium 4-aryl-3-cyano-6-oxo-1,4,5,6-tetrahydropyridine-2-thiolates with an excess of isobutyraldehyde and primary aromatic amines in refluxing ethanol gives the corresponding 7-aryl-3-arylamino-2,2-dimethyl-5-oxo-2,3,6,7-tetrahydro-5 H-thiazolo[3,2-a]pyridine-8-carbonitriles in 18-38 % yields.

  DOI：

  10.1007/s10593-012-1042-y