5-(2,5-二甲氧基苯基)-7-甲基-3-氧代-5H-[1,3]噻唑并[3,2-a]嘧啶-6-羧酸乙酯 | 5821-32-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 5-(2,5-二甲氧基苯基)-7-甲基-3-氧代-5H-[1,3]噻唑并[3,2-a]嘧啶-6-羧酸乙酯
• 英文名称: 5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
• 英文别名: Ethyl 5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate；ethyl 5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• CAS: 5821-32-9
• 化学式: C₁₈H₂₀N₂O₅S
• 分子量: 376.433
• InChiKey: SAICNNQHVVEXDS-UHFFFAOYSA-N

物化性质

• 熔点：
  148 °C
• 密度：
  1.162±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  氯乙酰氯 、 ethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate 以 1,4-二氧六环 为溶剂， 反应 0.5h， 以89%的产率得到5-(2,5-二甲氧基苯基)-7-甲基-3-氧代-5H-[1,3]噻唑并[3,2-a]嘧啶-6-羧酸乙酯
  参考文献：
  名称：

  Synthesis of Some Bicyclic Thiazolo- and Oxothiazolo-Pyrimidines

  摘要：

  Oxothiazolopyrimidine compounds 2(a-e) were synthesized under reflux condition, by a simple one-pot condensation reaction of the pyrimidine derivative 1 and chloroacetylchloride in the presence of silver acetate as a catalyst. In a similar way the thiazolopyrimidine 3 and oxothiazolopyrimidine 4 were synthesized by reaction of pyrimidine derivative 1 with 1,2-dibromoethane and 2-bromopropanoic acid respectively. The yields of products following recrystallization from ethanol were of the order of 55-89%.

  DOI：

  10.1080/104265090508406

文献信息

• Synthesis of Some Bicyclic Thiazolo- and Oxothiazolo-Pyrimidines
  作者：A. Mobinikhaledi、N. Foroughifar、B. Ahmadi

  DOI：10.1080/104265090508406

  日期：2005.2

  Oxothiazolopyrimidine compounds 2(a-e) were synthesized under reflux condition, by a simple one-pot condensation reaction of the pyrimidine derivative 1 and chloroacetylchloride in the presence of silver acetate as a catalyst. In a similar way the thiazolopyrimidine 3 and oxothiazolopyrimidine 4 were synthesized by reaction of pyrimidine derivative 1 with 1,2-dibromoethane and 2-bromopropanoic acid respectively. The yields of products following recrystallization from ethanol were of the order of 55-89%.