4-(4-chlorophenyl)-2-(pyridin-2-yl)-5-thioxo-7,8-dihydropyrido[2',3':4,5]pyrimido[2,1-b][1,3]thiazin-9-one | 906652-86-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(4-chlorophenyl)-2-(pyridin-2-yl)-5-thioxo-7,8-dihydropyrido[2',3':4,5]pyrimido[2,1-b][1,3]thiazin-9-one
• CAS: 906652-86-6
• 化学式: C₂₁H₁₃ClN₄OS₂
• 分子量: 436.945
• InChiKey: QJQPDAJAVNKYKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.57
• 重原子数：
  29.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  60.67
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4-(4-chlorophenyl)-2-(pyridin-2-yl)-5-thioxo-7,8-dihydropyrido[2',3':4,5]pyrimido[2,1-b][1,3]thiazin-9-one 、 4-氯苯甲醛 在 sodium acetate 、 溶剂黄146 作用下， 以65%的产率得到8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-2-(pyridin-2-yl)-5-thioxo-7,8-dihydropyrido[2',3':4,5]pyrimido[2,1-b][1,3]thiazin-9-one
  参考文献：
  名称：

  Preparation of Some Fused Pyridopyrimidine and Pyridothienotriazine Derivatives for Biological Evaluation

  摘要：

  Compounds 2 and 9 were formed using 3-(4-chloro-phenyl)-1-pyridin-2-yl propenone (1) and malononitrile or ethyl cyanoacetate, respectively. The pyridine derivative 2 was in turn used as a precursor for the preparation of some pyridopyrimidine and fused pyridopyrimidine derivatives 3-8. On the other hand, the pyridine derivative 9 was used for the preparation of thienopyridine derivatives 11 and 12. Nitrozation of compound 12 afforded pyridothienotriazine derivative 13. Some of the prepared products showed potent antimicrobial activity.

  DOI：

  10.1080/104265090968118
• 作为产物：
  描述：

  3-(4-氯苯基)-1-(吡啶-2-基)丙-2-烯-1-酮 在 乙酸铵 、 氢氧化钾 、 sodium acetate 、 乙酸酐 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 11.0h， 生成 4-(4-chlorophenyl)-2-(pyridin-2-yl)-5-thioxo-7,8-dihydropyrido[2',3':4,5]pyrimido[2,1-b][1,3]thiazin-9-one
  参考文献：
  名称：

  Preparation of Some Fused Pyridopyrimidine and Pyridothienotriazine Derivatives for Biological Evaluation

  摘要：

  Compounds 2 and 9 were formed using 3-(4-chloro-phenyl)-1-pyridin-2-yl propenone (1) and malononitrile or ethyl cyanoacetate, respectively. The pyridine derivative 2 was in turn used as a precursor for the preparation of some pyridopyrimidine and fused pyridopyrimidine derivatives 3-8. On the other hand, the pyridine derivative 9 was used for the preparation of thienopyridine derivatives 11 and 12. Nitrozation of compound 12 afforded pyridothienotriazine derivative 13. Some of the prepared products showed potent antimicrobial activity.

  DOI：

  10.1080/104265090968118