1-cyclopentyl-3-methyl-4-(4-methylbenzoyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one | 1616512-10-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-cyclopentyl-3-methyl-4-(4-methylbenzoyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
• CAS: 1616512-10-7
• 化学式: C₂₀H₂₃N₃O₂
• 分子量: 337.422
• InChiKey: ATFJOIVSCCVNRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.92
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  63.99
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  丙二酸环(亚)异丙酯 、 4-甲基苯基乙二醛水合物 、 2-环戊基-5-甲基-2H-吡唑-3-胺 以 乙醇 为溶剂， 以76%的产率得到1-cyclopentyl-3-methyl-4-(4-methylbenzoyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
  参考文献：
  名称：

  Three-Component Synthesis of 4-Aroyl-2(1),4,5,7-Tetrahydropyrazolo[3,4-b]Pyridin-6-Ones and Their Properties

  摘要：

  Inspired by the concept of multicomponent reactions, a novel one-pot synthesis involving arylglyoxals, 5-aminopyrazoles, and Meldrum's acid has been developed and employed for the creation of a small library of 4-aroyl-2(1),4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-ones. The alkylation, acylation, reduction, and oxidation reactions of 4-aroyl-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-ones have been studied.

  DOI：

  10.1007/s10593-014-1502-7