(9-(4-methoxyphenyl)-9H-purin-6-yl)(piperidin-1-yl)methanimine | 1451060-60-8

• 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-(4-methoxyphenyl)-9H-purin-6-yl)(piperidin-1-yl)methanimine
• 英文别名: [9-(4-Methoxyphenyl)purin-6-yl]-piperidin-1-ylmethanimine；[9-(4-methoxyphenyl)purin-6-yl]-piperidin-1-ylmethanimine
• CAS: 1451060-60-8
• 化学式: C₁₈H₂₀N₆O
• 分子量: 336.396
• InChiKey: QROBHYJHWRLVAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  79.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  哌啶 、 6-cyano-9-(4-methoxyphenyl)-9H-purine 以 正己烷 、 二氯甲烷 为溶剂， 反应 1.0h， 以29%的产率得到(9-(4-methoxyphenyl)-9H-purin-6-yl)(piperidin-1-yl)methanimine
  参考文献：
  名称：

  Unexpected Behaviour of 6-Cyanopurines Towards Secondary Amines

  摘要：

  Reaction of 6-cyanopurines with excess dimethylamine and excess piperidine at room temperature or by reflux-respectively-yielded a mixture of 6-purinecarboximidamides and N,N-dialkylpurines or piperidin-1-yl(purin-6-yl)methanimine and (piperidin-1-yl)-9H-purine, respectively. 6-Purinecarboximidamides were initially formed from the reaction, whereas N,N-dialkylpurines were detected in the mixture 30 min afterward. Both purines appeared to be generated from different mechanistic pathways.

  DOI：

  10.3987/com-13-12695