5-(4-Chloro-phenyl)-2-[1-(4-chloro-phenyl)-meth-(Z)-ylidene]-7-methyl-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(4-Chloro-phenyl)-2-[1-(4-chloro-phenyl)-meth-(Z)-ylidene]-7-methyl-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
• 英文别名: ethyl (2Z)-2-(4-chlorobenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate；ethyl (2Z)-5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• 化学式: C₂₃H₁₈Cl₂N₂O₃S
• 分子量: 473.38
• InChiKey: YHRHWFJFEGCXJM-PDGQHHTCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  84.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(4-Chloro-phenyl)-2-[1-(4-chloro-phenyl)-meth-(Z)-ylidene]-7-methyl-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester 、 丙二腈 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以68%的产率得到6-Amino-4,8-bis-(4-chloro-phenyl)-7-cyano-2-methyl-4H,8H-5-oxa-9-thia-1,4a-diaza-fluorene-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  SYNTHESIS AND RADIATION STABILITY OF NOVEL THIAZOLOPYRIMIDINES WITH EXPECTED ANTIFUNGAL ACTIVITY

  摘要：

  A number of thiazolopyrimidines (II-VII) were prepared through interaction of 6-methyl-4(4'-chlorophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester (Ia) with many reagents. The antifungal activity of all prepared compounds have been determined using Dithane M-45 as a standard fungicide. Some compounds showed a high fungicidal activity equivalent to that of the standard towards Aspergillus niger and Aspergillus ochraceus. Also some biologically active compounds were subjected to gamma irradiation and me structures are stable.

  DOI：

  10.1080/10426509608029657
• 作为产物：
  描述：

  ethyl 4-(4-chlorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxopyrimidine-5-carboxylate 在 sodium acetate 、 乙酸酐 、 溶剂黄146 作用下， 反应 6.0h， 生成 5-(4-Chloro-phenyl)-2-[1-(4-chloro-phenyl)-meth-(Z)-ylidene]-7-methyl-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
  参考文献：
  名称：

  SYNTHESIS AND RADIATION STABILITY OF NOVEL THIAZOLOPYRIMIDINES WITH EXPECTED ANTIFUNGAL ACTIVITY

  摘要：

  A number of thiazolopyrimidines (II-VII) were prepared through interaction of 6-methyl-4(4'-chlorophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester (Ia) with many reagents. The antifungal activity of all prepared compounds have been determined using Dithane M-45 as a standard fungicide. Some compounds showed a high fungicidal activity equivalent to that of the standard towards Aspergillus niger and Aspergillus ochraceus. Also some biologically active compounds were subjected to gamma irradiation and me structures are stable.

  DOI：

  10.1080/10426509608029657