1,3-dimethyl-5-phenyl-8-thioxo-9,10-dihydropyrido[2,3-d:6,5-d]dipyrimidine-2,4,6(1H,3H,5H,7H)-trione | 1207379-37-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 1,3-dimethyl-5-phenyl-8-thioxo-9,10-dihydropyrido[2,3-d:6,5-d]dipyrimidine-2,4,6(1H,3H,5H,7H)-trione
• 英文别名: 4,6-Dimethyl-9-phenyl-13-sulfanylidene-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8)-diene-5,7,11-trione
• CAS: 1207379-37-0
• 化学式: C₁₇H₁₅N₅O₃S
• 分子量: 369.404
• InChiKey: NRPMQPJNZKPXBH-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C
• 密度：
  1.59±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  26
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  126
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4,6-二羟基-2-巯基嘧啶 、 1,3-二甲基-6-氨基脲嘧啶 、 苯甲醛 在 哌啶 作用下， 以 水 为溶剂， 反应 1.0h， 以90%的产率得到1,3-dimethyl-5-phenyl-8-thioxo-9,10-dihydropyrido[2,3-d:6,5-d]dipyrimidine-2,4,6(1H,3H,5H,7H)-trione
  参考文献：
  名称：

  Rapid and efficient synthesis of fused heterocyclic pyrimidines under ultrasonic irradiation

  摘要：

  Some fused heterocyclic pyrimidines have been synthesized in high yields using ultrasound irradiation in a one-pot, three-component and efficient process by condensation reaction of barbituric acids, aldehydes and a series of enamines in water. Prominent among the advantages of this new method are operational simplicity, good yields in short reaction times and easy work-up procedures employed. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ultsonch.2009.07.002

文献信息

• Rapid and efficient synthesis of fused heterocyclic pyrimidines under ultrasonic irradiation
  作者：Mohammad Hossein Mosslemin、Mohammad Reza Nateghi

  DOI：10.1016/j.ultsonch.2009.07.002

  日期：2010.1

  Some fused heterocyclic pyrimidines have been synthesized in high yields using ultrasound irradiation in a one-pot, three-component and efficient process by condensation reaction of barbituric acids, aldehydes and a series of enamines in water. Prominent among the advantages of this new method are operational simplicity, good yields in short reaction times and easy work-up procedures employed. (C) 2009 Elsevier B.V. All rights reserved.