N-(4-methylbenzyl)-4-(3-chlorophenyl)-6-methyl-1,3-diphenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide | 1163251-88-4

• 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: N-(4-methylbenzyl)-4-(3-chlorophenyl)-6-methyl-1,3-diphenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
• 英文别名: 4-(3-chlorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide
• CAS: 1163251-88-4
• 化学式: C₃₄H₂₇ClN₄O
• 分子量: 543.068
• InChiKey: FIZJFDLJYBFWFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  59.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  双乙烯酮 、 5-氨基-1,3-二苯基哌唑 、 3-氯苯甲醛 、 4-甲基苄胺 在 对甲苯磺酸 作用下， 以 二氯甲烷 为溶剂， 反应 122.0h， 以74%的产率得到N-(4-methylbenzyl)-4-(3-chlorophenyl)-6-methyl-1,3-diphenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
  参考文献：
  名称：

  Synthesis of fully substituted pyrazolo[3,4-b]pyridine-5-carboxamide derivatives via a one-pot four-component reaction

  摘要：

  A one-pot four-component reaction of an aliphatic or aromatic amine, diketene, an aromatic aldehyde and 1,3-diphenyl-1H-pyrazol-5-amine in the presence of p-toluenesulfonic acid as a catalyst has been developed. In this reaction, a new class of fully substituted pyrazolo[3,4-b]pyridine-5-carboxamide derivatives is produced under mild reaction conditions and in good yields at ambient temperature. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2009.03.200

文献信息

• Synthesis of fully substituted pyrazolo[3,4-b]pyridine-5-carboxamide derivatives via a one-pot four-component reaction
  作者：Ahmad Shaabani、Mozhdeh Seyyedhamzeh、Ali Maleki、Maryam Behnam、Fahimeh Rezazadeh

  DOI：10.1016/j.tetlet.2009.03.200

  日期：2009.6

  A one-pot four-component reaction of an aliphatic or aromatic amine, diketene, an aromatic aldehyde and 1,3-diphenyl-1H-pyrazol-5-amine in the presence of p-toluenesulfonic acid as a catalyst has been developed. In this reaction, a new class of fully substituted pyrazolo[3,4-b]pyridine-5-carboxamide derivatives is produced under mild reaction conditions and in good yields at ambient temperature. (C) 2009 Published by Elsevier Ltd.