7-(2-azidoethyl)-2-benzamidopurin-6-one | 138753-79-4

• 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: 7-(2-azidoethyl)-2-benzamidopurin-6-one
• 英文别名: N-[7-(2-azidoethyl)-6-oxo-3H-purin-2-yl]benzamide
• CAS: 138753-79-4
• 化学式: C₁₄H₁₂N₈O₂
• 分子量: 324.302
• InChiKey: QEQUDAMPNQFNDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.68
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  141.43
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  7-(2-azidoethyl)-2-benzamidopurin-6-one 在 palladium on activated charcoal 甲酸铵 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以82.7%的产率得到N-[7-(2-氨基乙基)-6-氧代-3H-嘌呤-2-基]苯甲酰胺
  参考文献：
  名称：

  Synthesis and binding properties of monomeric and dimeric guanine and cytosine amine derivatives

  摘要：

  The syntheses of the N-protected forms of the cytosine homodimer 1, the guanine cytosine heterodimer 2, and the guanine homodimer 3 are described. Derivatization of these dimers, as well as the protected monomers corresponding to 4 and 5, with omega-methoxypoly(ethylene glycol)-alpha-carboxylic acid 26 and subsequent deprotection formed the amides 29, 31, 33, 35, and 37. The binding properties of these solubilized compounds in DMSO-d(g) were examined using H-1 NMR.

  DOI：

  10.1021/jo00029a008
• 作为产物：
  描述：

  2-benzamido-7-(2-hydroxyethyl)purin-6-one 在 吡啶 、 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 21.0h， 生成 7-(2-azidoethyl)-2-benzamidopurin-6-one
  参考文献：
  名称：

  Synthesis and binding properties of monomeric and dimeric guanine and cytosine amine derivatives

  摘要：

  The syntheses of the N-protected forms of the cytosine homodimer 1, the guanine cytosine heterodimer 2, and the guanine homodimer 3 are described. Derivatization of these dimers, as well as the protected monomers corresponding to 4 and 5, with omega-methoxypoly(ethylene glycol)-alpha-carboxylic acid 26 and subsequent deprotection formed the amides 29, 31, 33, 35, and 37. The binding properties of these solubilized compounds in DMSO-d(g) were examined using H-1 NMR.

  DOI：

  10.1021/jo00029a008