(2,6-Diazido-purin-9-yl)-acetic acid methyl ester | 189885-93-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2,6-Diazido-purin-9-yl)-acetic acid methyl ester
• 英文别名: Methyl (2,6-diazido-9H-purin-9-yl)acetate；methyl 2-(2,6-diazidopurin-9-yl)acetate
• CAS: 189885-93-6
• 化学式: C₈H₆N₁₀O₂
• 分子量: 274.201
• InChiKey: VNHQLIAAJBGANI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  98.6
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2,6-dichloro-9-((methoxycarbonyl)methyl)-9H-purine 在 sodium azide 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 96.0h， 以20%的产率得到(2,6-Diazido-purin-9-yl)-acetic acid methyl ester
  参考文献：
  名称：

  2,6-Diazido-9-(carboxymethyl)purine Methyl Ester

  摘要：

  The title compound (methyl 2,6-diazidopurine-9-acetate. C8H6N10O2) is a potential intermediate for the synthesis of peptidic nucleic acids containing diaminopurine. Its two azido groups are approximately parallel and at their attachment points, the internal ring angles are 1.4(3)degrees smaller than in the dichloro homologue.

  DOI：

  10.1107/s0108270196015764

文献信息

• 2,6-Diazido-9-(carboxymethyl)purine Methyl Ester
  作者：G. Sood、C. H. Schwalbe、W. Fraser

  DOI：10.1107/s0108270196015764

  日期：1997.5.15

  The title compound (methyl 2,6-diazidopurine-9-acetate. C8H6N10O2) is a potential intermediate for the synthesis of peptidic nucleic acids containing diaminopurine. Its two azido groups are approximately parallel and at their attachment points, the internal ring angles are 1.4(3)degrees smaller than in the dichloro homologue.