2-amino-3-cyano-4-methyl-7-oxo-9-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydropyrido[3',2':4,5]thieno[3,2-b]pyridine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-amino-3-cyano-4-methyl-7-oxo-9-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydropyrido[3',2':4,5]thieno[3,2-b]pyridine
• 英文别名: 2-Amino-4-methyl-7-oxo-9-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-3-carbonitrile；4-amino-6-methyl-11-oxo-13-(3,4,5-trimethoxyphenyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-5-carbonitrile
• 化学式: C₂₁H₂₀N₄O₄S
• 分子量: 424.48
• InChiKey: PNTVRRBWIBANLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  148
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  丙酮 、 丙二腈 、 N-methylmorpholinium 5-cyano-4-(3,4,5-trimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolate 以 乙醇 为溶剂， 反应 25.0h， 以28%的产率得到2-amino-3-cyano-4-methyl-7-oxo-9-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydropyrido[3',2':4,5]thieno[3,2-b]pyridine
  参考文献：
  名称：

  摘要：

  The reactions of N-methylmorpholinium 4-aryl(hetaryl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-6-thiolates with malononitrile and acetone in ethanol afforded substituted tetrahydropyridothienopyridinones. In the absence of acetone, tetrahydropyridothiopyranopyridinones were isolated as the major reaction products. The latter were also synthesized independently by the reactions of the above-mentioned thiolates with 2-amino-1,1,3-tricyanopropene. The structure of 2,4-diamino-10-(2-chlorophenyl)-3-cyano-5-imino-8-oxo-7,8,9,10-tetrahydro-5H-pyrido[2',3':2,3]thiopyrano[4,5-b]pyridine was established by X-ray diffraction analysis.

  DOI：

  10.1023/a:1024420930528