6-bromo-2-dimethylamino-4(3H)-oxopteridine | 811439-88-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: 6-bromo-2-dimethylamino-4(3H)-oxopteridine
• 英文别名: 6-bromo-2-(dimethylamino)-3H-pteridin-4-one
• CAS: 811439-88-0
• 化学式: C₈H₈BrN₅O
• 分子量: 270.088
• InChiKey: RZDALOCBOQMFQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  70.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙醇 、 6-bromo-2-dimethylamino-4(3H)-oxopteridine 在 potassium tert-butylate 作用下， 以 乙醇 为溶剂， 生成 6-ethoxy-2-dimethylamino-4(3H)-oxopteridine
  参考文献：
  名称：

  Pteridines, CIV. Regioselective Alkoxylation of Pteridines at the 6-Position by N-Bromo-succinimide and Alcohol

  摘要：

  Reaction of 1,3-dimethyllumazine with N-bromosuccinimide or bromine in an appropriate alcohol afforded 6-alkoxy-1,3-dimethyllumazine. N-Iodosuccinimide or iodine also brought about the same reaction. This procedure was applicable to other pteridine compounds, such as 2-dimethylamino-4(3H)-oxopteridine. The mechanism of this alkoxylation reaction is discussed.

  DOI：

  10.3987/com-94-6997
• 作为产物：
  描述：

  N²,N²-Dimethylpterin 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 甲醇 为溶剂， 反应 48.0h， 以22%的产率得到6-methoxy-2-dimethylamino-4(3H)-oxopteridine
  参考文献：
  名称：

  Pteridines, CIV. Regioselective Alkoxylation of Pteridines at the 6-Position by N-Bromo-succinimide and Alcohol

  摘要：

  Reaction of 1,3-dimethyllumazine with N-bromosuccinimide or bromine in an appropriate alcohol afforded 6-alkoxy-1,3-dimethyllumazine. N-Iodosuccinimide or iodine also brought about the same reaction. This procedure was applicable to other pteridine compounds, such as 2-dimethylamino-4(3H)-oxopteridine. The mechanism of this alkoxylation reaction is discussed.

  DOI：

  10.3987/com-94-6997