3-Methyl-1,6-diphenyl-4-(4-dimethylaminophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile | 1258794-09-0

• 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: 3-Methyl-1,6-diphenyl-4-(4-dimethylaminophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
• 英文别名: 4-[4-(Dimethylamino)phenyl]-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridine-5-carbonitrile；4-[4-(dimethylamino)phenyl]-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridine-5-carbonitrile
• CAS: 1258794-09-0
• 化学式: C₂₈H₂₃N₅
• 分子量: 429.524
• InChiKey: RGBCSUKKXIYDSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  57.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-氨基-3-甲基-1-苯基吡唑 、 苯甲酰乙腈 、 对二甲氨基苯甲醛 以 水 为溶剂， 反应 8.0h， 以96%的产率得到3-Methyl-1,6-diphenyl-4-(4-dimethylaminophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
  参考文献：
  名称：

  Catalyst free synthesis of fused pyrido[2,3-d]pyrimidines and pyrazolo[3,4-b]pyridines in water

  摘要：

  A one-pot, three-component condensation reaction of an aldehyde, benzoyl acetonitrile (3-oxo-3-phenylpropane nitrile) and 6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione or 3-methyl-1-phenyl-1H-pyrazol-5-amine in water to give fused pyrido[2,3-d]pyrimidines and pyrazolo[3,4-b]pyridines in high yields without any catalyst, is described. (C) 2012 Abbas Rahmati. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.08.009

文献信息

• Catalyst free synthesis of fused pyrido[2,3-d]pyrimidines and pyrazolo[3,4-b]pyridines in water
  作者：Abbas Rahmati、Zahra Khalesi

  DOI：10.1016/j.cclet.2012.08.009

  日期：2012.10

  A one-pot, three-component condensation reaction of an aldehyde, benzoyl acetonitrile (3-oxo-3-phenylpropane nitrile) and 6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione or 3-methyl-1-phenyl-1H-pyrazol-5-amine in water to give fused pyrido[2,3-d]pyrimidines and pyrazolo[3,4-b]pyridines in high yields without any catalyst, is described. (C) 2012 Abbas Rahmati. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.