8-(1,3-Benzothiazol-2-yl)-9-butyl-1,3-dipropylpurine-2,6-dione | 1228356-70-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 8-(1,3-Benzothiazol-2-yl)-9-butyl-1,3-dipropylpurine-2,6-dione
• CAS: 1228356-70-4
• 化学式: C₂₂H₂₇N₅O₂S
• 分子量: 425.555
• InChiKey: YCGHZZHBTZPNAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  99.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  正溴丁烷 、 8-(benzo[d]thiazol-2-yl)-1,3-dipropyl-1H-purine-2,6(3H,9H)-dione 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以79%的产率得到8-(1,3-Benzothiazol-2-yl)-9-butyl-1,3-dipropylpurine-2,6-dione
  参考文献：
  名称：

  Synthesis of Novel 3,7-Dihydro-purine-2,6-dione Derivatives

  摘要：

  Forty-six novel 3,7-dihydro-purine-2,6-dione derivatives (substituted xanthines) with great structural diversity were synthesized for biological activity screening. Three series of substituted xanthine analogs have been prepared in moderate to excellent yields.

  DOI：

  10.1080/00397910903097260

文献信息

• Synthesis of Novel 3,7-Dihydro-purine-2,6-dione Derivatives
  作者：Gang Liu、P. S. Murali Mohan Reddy、Jack R. Barber、Shi Chung Ng、Yuefen Zhou

  DOI：10.1080/00397910903097260

  日期：2010.4.26

  Forty-six novel 3,7-dihydro-purine-2,6-dione derivatives (substituted xanthines) with great structural diversity were synthesized for biological activity screening. Three series of substituted xanthine analogs have been prepared in moderate to excellent yields.