N²,N²-dimethyl-9-ethylguanine | 155084-36-9

• 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: N²,N²-dimethyl-9-ethylguanine
• 英文别名: 2-(dimethylamino)-9-ethyl-1H-purin-6-one
• CAS: 155084-36-9
• 化学式: C₉H₁₃N₅O
• 分子量: 207.235
• InChiKey: LQFIRCWWFQONMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  62.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N²,N²-dimethyl-9-ethylguanine 在 盐酸 、 2,4-二硝基苯基羟胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 96.0h， 以58%的产率得到7-amino-N²,N²-dimethyl-9-ethylguaninium chloride
  参考文献：
  名称：

  Electrophilic amination of imidazole moieties of 9-ethylguanine and 1-methylbenzimidazole derivatives and reactivities of N-aminated products

  摘要：

  Electrophilic amination of four 9-ethylguanine derivatives and seven 1-methylbenzimidazole derivatives with 2,4-dinitrophenoxyamine was carried out. N-amination proceeded at the imidazole moiety of these compounds with pKa's of more than 3.2. Treatment of these N-aminated derivatives with 0.1 N NaOH gave different results depending on their structures. Reactivity of the imidazole moiety to electrophilic amination and the reaction pathways of N-aminated compounds with alkaline treatment are discussed.

  DOI：

  10.1016/s0040-4020(01)81901-3
• 作为产物：
  描述：

  7-amino-N²,N²-dimethyl-9-ethylguaninium chloride 在 silica gel 作用下， 生成 N²,N²-dimethyl-9-ethylguanine
  参考文献：
  名称：

  Electrophilic amination of imidazole moieties of 9-ethylguanine and 1-methylbenzimidazole derivatives and reactivities of N-aminated products

  摘要：

  Electrophilic amination of four 9-ethylguanine derivatives and seven 1-methylbenzimidazole derivatives with 2,4-dinitrophenoxyamine was carried out. N-amination proceeded at the imidazole moiety of these compounds with pKa's of more than 3.2. Treatment of these N-aminated derivatives with 0.1 N NaOH gave different results depending on their structures. Reactivity of the imidazole moiety to electrophilic amination and the reaction pathways of N-aminated compounds with alkaline treatment are discussed.

  DOI：

  10.1016/s0040-4020(01)81901-3