2-(2,3-epoxypropyl)-4-methoxy-6-methyl-1H-pyrolo[3,4-c]pyridine-1,3(2H)-dione | 578742-24-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(2,3-epoxypropyl)-4-methoxy-6-methyl-1H-pyrolo[3,4-c]pyridine-1,3(2H)-dione
• CAS: 578742-24-2
• 化学式: C₁₂H₁₂N₂O₄
• 分子量: 248.238
• InChiKey: RMWDJLDMLLXBEV-UHFFFAOYSA-N

物化性质

• 熔点：
  126-128 °C(Solv: ethanol (64-17-5))
• 沸点：
  426.1±45.0 °C(Predicted)
• 密度：
  1.426±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.39
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  72.03
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl chloride 、 2-(2,3-epoxypropyl)-4-methoxy-6-methyl-1H-pyrolo[3,4-c]pyridine-1,3(2H)-dione 以 乙醇 为溶剂， 反应 0.25h， 以46%的产率得到4-methoxy-2-[2-hydroxy-3(4-o-methoxyphenyl-1-piperazinyl)propyl]-6-methyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
  参考文献：
  名称：

  Investigations on the synthesis and pharmacological properties of 4-alkoxy-2-[2-hydroxy-3-(4-aryl-1-piperazinyl)propyl]-6-methyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-diones

  摘要：

  Synthesis of 2-[2-hydroxy-3-(4-aryl-1-piperazinyl)propyl] derivatives of 4-alkoxy-6-methyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)diones (8-12) is described. The chlorides used in the above synthesis can exist in two isomeric forms: chain (18-20) and cyclic (19a, 20a). The compounds 8-12 exhibited potent analgesic activity which was superior than that of acetylsalicylic acid in two different tests. Most of the investigated imides suppressed significantly spontaneous locomotor activity in mice. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0014-827x(02)01302-2
• 作为产物：
  描述：

  4-methoxy-6-methyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione 、 环氧氯丙烷 在 potassium carbonate 作用下， 反应 14.0h， 以65%的产率得到2-(2,3-epoxypropyl)-4-methoxy-6-methyl-1H-pyrolo[3,4-c]pyridine-1,3(2H)-dione
  参考文献：
  名称：

  Investigations on the synthesis and pharmacological properties of 4-alkoxy-2-[2-hydroxy-3-(4-aryl-1-piperazinyl)propyl]-6-methyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-diones

  摘要：

  Synthesis of 2-[2-hydroxy-3-(4-aryl-1-piperazinyl)propyl] derivatives of 4-alkoxy-6-methyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)diones (8-12) is described. The chlorides used in the above synthesis can exist in two isomeric forms: chain (18-20) and cyclic (19a, 20a). The compounds 8-12 exhibited potent analgesic activity which was superior than that of acetylsalicylic acid in two different tests. Most of the investigated imides suppressed significantly spontaneous locomotor activity in mice. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0014-827x(02)01302-2