3-Methyl-1,6-diphenyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid methyl ester | 214914-36-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-Methyl-1,6-diphenyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid methyl ester
• 英文别名: Methyl 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine-5-carboxylate；methyl 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine-5-carboxylate
• CAS: 214914-36-0
• 化学式: C₂₀H₁₆N₄O₂
• 分子量: 344.373
• InChiKey: QLGSWLSZQFAHHW-UHFFFAOYSA-N

物化性质

• 沸点：
  481.223±45.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.288±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  69.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-Methyl-1,6-diphenyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid methyl ester 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以76%的产率得到3-methyl-1,6-diphenyl-1H-pyrazolo[3,4-b]pyrazine-5-carbohydrazide
  参考文献：
  名称：

  Facile synthesis of some new pyrazolo [3,4-b] pyrazines and their antifungal activity

  摘要：

  The synthesis of new pyrazolo[3,4-b]pyrazines and related heterocycles has been reported. The key intermediate 1,6-diphenyl-3-methyl-1 H-pyrazolo[ 3,4-b]pyrazine-5-carbonitrile 2 was obtained in one pot synthesis from the reaction of 5-amino-3-methyl-4-nitroso-1-phenyl-pyrazole 1 with benzoylacetonitrile. Modest antifungal activity was shown for some of the prepared compounds. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00014-7
• 作为产物：
  描述：

  苯甲酰乙腈 在 吡啶 、 sodium hydroxide 、 硫酸 、 水 作用下， 以 乙醇 为溶剂， 反应 14.0h， 生成 3-Methyl-1,6-diphenyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid methyl ester
  参考文献：
  名称：

  Facile synthesis of some new pyrazolo [3,4-b] pyrazines and their antifungal activity

  摘要：

  The synthesis of new pyrazolo[3,4-b]pyrazines and related heterocycles has been reported. The key intermediate 1,6-diphenyl-3-methyl-1 H-pyrazolo[ 3,4-b]pyrazine-5-carbonitrile 2 was obtained in one pot synthesis from the reaction of 5-amino-3-methyl-4-nitroso-1-phenyl-pyrazole 1 with benzoylacetonitrile. Modest antifungal activity was shown for some of the prepared compounds. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00014-7