2,6-bis(2-diethylaminoethylthio)-7-methylpurine | 1411565-08-6

• 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: 2,6-bis(2-diethylaminoethylthio)-7-methylpurine
• 英文别名: 2-[2-[2-(diethylamino)ethylsulfanyl]-7-methylpurin-6-yl]sulfanyl-N,N-diethylethanamine
• CAS: 1411565-08-6
• 化学式: C₁₈H₃₂N₆S₂
• 分子量: 396.624
• InChiKey: IYWVYPMEHVQFGT-UHFFFAOYSA-N

物化性质

• 沸点：
  550.8±60.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  26
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,6-bis(2-diethylaminoethylthio)-7-methylpurine 在 二氯磷酸苯酯 、 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 7.0h， 生成 2,6-bis(2-pyrrolidinylethylthio)-7-methylpurine
  参考文献：
  名称：

  Synthesis of 2- and 6-(Dialkylaminoalkylthio)- and 2,6-Bis(dialkylaminoalkylthio)-7-methylpurines

  摘要：

  An efficient synthesis of 21 new thiopurines being 2-substituted 6-(dialkylaminoalkylthio)-7-methylpurines, 6-substituted 2-(dialkylaminoalkylthio)-7-methylpurines, and 2,6-bis(dialkylaminoalkylthio)-7-methylpurines was reported. 2-Substituted 6-(dialkylaminoalkylthio) and 2,6-bis(dialkylaminoalkylthio) derivatives were obtained via direct S-dialkylaminoalkylation of the appro- priate purinethiones. The different reactivities of the dialkylaminalkylthio groups in positions 2 and 6 towards sodium alkoxides were the key processes in a few step synthesis of 2-(dialkylaminoalkylthio) derivatives from 2,6-bis(dialkylaminoalkylthio) derivatives.

  DOI：

  10.3987/com-12-12546
• 作为产物：
  描述：

  7-methyl-2,6-dithioxo-1,2,3,6-tetrahydropurine 、 2-二乙氨基氯乙烷盐酸盐 在 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 以86.5%的产率得到2,6-bis(2-diethylaminoethylthio)-7-methylpurine
  参考文献：
  名称：

  Synthesis of 2- and 6-(Dialkylaminoalkylthio)- and 2,6-Bis(dialkylaminoalkylthio)-7-methylpurines

  摘要：

  An efficient synthesis of 21 new thiopurines being 2-substituted 6-(dialkylaminoalkylthio)-7-methylpurines, 6-substituted 2-(dialkylaminoalkylthio)-7-methylpurines, and 2,6-bis(dialkylaminoalkylthio)-7-methylpurines was reported. 2-Substituted 6-(dialkylaminoalkylthio) and 2,6-bis(dialkylaminoalkylthio) derivatives were obtained via direct S-dialkylaminoalkylation of the appro- priate purinethiones. The different reactivities of the dialkylaminalkylthio groups in positions 2 and 6 towards sodium alkoxides were the key processes in a few step synthesis of 2-(dialkylaminoalkylthio) derivatives from 2,6-bis(dialkylaminoalkylthio) derivatives.

  DOI：

  10.3987/com-12-12546

文献信息

• Synthesis of 2- and 6-(Dialkylaminoalkylthio)- and 2,6-Bis(dialkylaminoalkylthio)-7-methylpurines
  作者：Alicja Kowalska、Krystian Pluta

  DOI：10.3987/com-12-12546

  日期：——

  An efficient synthesis of 21 new thiopurines being 2-substituted 6-(dialkylaminoalkylthio)-7-methylpurines, 6-substituted 2-(dialkylaminoalkylthio)-7-methylpurines, and 2,6-bis(dialkylaminoalkylthio)-7-methylpurines was reported. 2-Substituted 6-(dialkylaminoalkylthio) and 2,6-bis(dialkylaminoalkylthio) derivatives were obtained via direct S-dialkylaminoalkylation of the appro- priate purinethiones. The different reactivities of the dialkylaminalkylthio groups in positions 2 and 6 towards sodium alkoxides were the key processes in a few step synthesis of 2-(dialkylaminoalkylthio) derivatives from 2,6-bis(dialkylaminoalkylthio) derivatives.