(E)-9-benzyl-6-(benzylthio)-8-(4-methylstyryl)-9H-purine | 1344717-51-6

• 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: (E)-9-benzyl-6-(benzylthio)-8-(4-methylstyryl)-9H-purine
• 英文别名: 9-benzyl-6-benzylsulfanyl-8-[(E)-2-(4-methylphenyl)ethenyl]purine
• CAS: 1344717-51-6
• 化学式: C₂₈H₂₄N₄S
• 分子量: 448.591
• InChiKey: WKFHLHONSYMZEI-WUKNDPDISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  68.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-氯-9-(苯基甲基)-9H-嘌呤 在 copper(l) iodide 、 palladium diacetate 、 三乙胺 、 lithium tert-butoxide 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 0.5h， 生成 (E)-9-benzyl-6-(benzylthio)-8-(4-methylstyryl)-9H-purine
  参考文献：
  名称：

  Microwave-Assisted Pd/Cu-Catalyzed C-8 Direct Alkenylation of Purines and Related Azoles: An Alternative Access to 6,8,9-Trisubstituted Purines

  摘要：

  An efficient microwave-assisted palladium/copper comediated C-8 direct alkenylation of purines with styryl bromides has been developed. The method is regioselective, functional group tolerant, rapid, and compatible with other related azoles. Combined with subsequent nucleophilic substitution, it provides an easy access to new 6,8,9-trisubstituted purines.

  DOI：

  10.1021/jo201893h

文献信息

• Microwave-Assisted Pd/Cu-Catalyzed C-8 Direct Alkenylation of Purines and Related Azoles: An Alternative Access to 6,8,9-Trisubstituted Purines
  作者：Roxane Vabre、Franciane Chevot、Michel Legraverend、Sandrine Piguel

  DOI：10.1021/jo201893h

  日期：2011.11.18

  An efficient microwave-assisted palladium/copper comediated C-8 direct alkenylation of purines with styryl bromides has been developed. The method is regioselective, functional group tolerant, rapid, and compatible with other related azoles. Combined with subsequent nucleophilic substitution, it provides an easy access to new 6,8,9-trisubstituted purines.