| 1172995-88-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1172995-88-8
• 化学式: C₂₄H₂₄N₄OS
• 分子量: 416.547
• InChiKey: PYGVCAXXENWPRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.34
• 重原子数：
  30.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  56.4
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  、 1,2-二溴乙烷 反应 0.05h， 以90%的产率得到
  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
• 作为产物：
  描述：

  alpha-萘基乙酰代乙酰苯胺 、 硫脲 、 对二甲氨基苯甲醛 生成
  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