9-benzyl-6-methyl-2-phenyl-8-(p-tolyl)-9H-purine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 9-benzyl-6-methyl-2-phenyl-8-(p-tolyl)-9H-purine
• 英文别名: 9-Benzyl-6-methyl-8-(4-methylphenyl)-2-phenylpurine；9-benzyl-6-methyl-8-(4-methylphenyl)-2-phenylpurine
• 化学式: C₂₆H₂₂N₄
• 分子量: 390.487
• InChiKey: GPTQUGWZKPALGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  9-苄基-2-氯-6-甲基嘌呤 在 palladium diacetate 、 copper(l) iodide 、 四(三苯基膦)钯 、 potassium carbonate 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 63.0h， 生成 9-benzyl-6-methyl-2-phenyl-8-(p-tolyl)-9H-purine
  参考文献：
  名称：

  Direct C−H Arylation of Purines:  Development of Methodology and Its Use in Regioselective Synthesis of 2,6,8-Trisubstituted Purines

  摘要：

  [GRAPHICS]Direct C-H arylation of purines to position 8 by diverse aryl iodides was achieved with Pd catalysis in the presence of CuI and Cs2CO3. The methodology is general and efficient and was applied in the consecutive regioselective synthesis of 2,6,8-trisubstituted purines bearing three different C-substituents in combination with two cross-coupling reactions.

  DOI：

  10.1021/ol062324j

文献信息

• Direct C−H Arylation of Purines:  Development of Methodology and Its Use in Regioselective Synthesis of 2,6,8-Trisubstituted Purines
  作者：Igor Čerňa、Radek Pohl、Blanka Klepetářová、Michal Hocek

  DOI：10.1021/ol062324j

  日期：2006.11.9

  [GRAPHICS]Direct C-H arylation of purines to position 8 by diverse aryl iodides was achieved with Pd catalysis in the presence of CuI and Cs2CO3. The methodology is general and efficient and was applied in the consecutive regioselective synthesis of 2,6,8-trisubstituted purines bearing three different C-substituents in combination with two cross-coupling reactions.