N-(4-fluorophenyl)-7-methyl-5-(4-nitrophenyl)-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide | 1172995-78-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-(4-fluorophenyl)-7-methyl-5-(4-nitrophenyl)-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
• CAS: 1172995-78-6
• 化学式: C₂₀H₁₇FN₄O₃S
• 分子量: 412.444
• InChiKey: DDYSHYYHVPUCJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.11
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  87.84
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  N-(4-fluorophenyl)-6-methyl-4-(4-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide 、 1,2-二溴乙烷 反应 0.07h， 以84%的产率得到N-(4-fluorophenyl)-7-methyl-5-(4-nitrophenyl)-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
  参考文献：
  名称：

  Catalyst-Free, Rapid Synthesis of Fused Bicyclic Thiazolo-Pyrimidine and Pyrimido-Thiazine Derivatives by a Microwave-Assisted Method

  摘要：

  The present investigation deals with the rapid microwave-assisted synthesis of compounds containing fused bicyclic systems. Dihydropyrimidines obtained via a microwave-assisted Biginelli reaction were treated with dibromo alkanes under microwave conditions to yield thiazolo-pyrimidine and pyrimido-thiazine systems. The usefulness of this method lies in carrying out the reaction without a catalyst and solvent in a shorter time. The reaction was successfully extended to develop fused systems from benzimidazole-2-thiol.

  DOI：

  10.1080/10426500802077564