(4-methoxyphenyl)-[2-methyl-4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanone | 515880-19-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4-methoxyphenyl)-[2-methyl-4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanone
• CAS: 515880-19-0
• 化学式: C₂₁H₁₉N₅O₂
• 分子量: 373.414
• InChiKey: UDVVEHAKAVGVJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  72.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  甲胺 、 (4-methoxyphenyl)-[2-methyl-4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanone 以 乙醇 为溶剂， 以40%的产率得到(4-Methoxyphenyl)-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanone
  参考文献：
  名称：

  Efficient synthesis of 8-substituted pyrazolo[1,5-a]-1,3,5-triazines by regioselective acylation

  摘要：

  An efficient two-step synthesis of 8-acylated pyrazolo[1,5-a]-1,3,5-triazines has been accomplished. The key strategic elements of this novel synthetic approach involve the use of the N-methyl-N-phenylamino activating group, which was easily obtained in high yield by treatment of the pyrazolotriazin-4-one with phosphorus oxychloride and dimethylaniline through high pressure reaction coupled with a regioselective acylation at position 8 followed by the subsequent displacement of the N-methyl-N-phenylamino group upon treatment with various amines. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02456-5
• 作为产物：
  描述：

  2-甲基吡唑并[1,5-a][1,3,5]三嗪-4(1H)-酮 在 四氯化锡 、 三氯氧磷 作用下， 以 氯仿 为溶剂， 生成 (4-methoxyphenyl)-[2-methyl-4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanone
  参考文献：
  名称：

  Efficient synthesis of 8-substituted pyrazolo[1,5-a]-1,3,5-triazines by regioselective acylation

  摘要：

  An efficient two-step synthesis of 8-acylated pyrazolo[1,5-a]-1,3,5-triazines has been accomplished. The key strategic elements of this novel synthetic approach involve the use of the N-methyl-N-phenylamino activating group, which was easily obtained in high yield by treatment of the pyrazolotriazin-4-one with phosphorus oxychloride and dimethylaniline through high pressure reaction coupled with a regioselective acylation at position 8 followed by the subsequent displacement of the N-methyl-N-phenylamino group upon treatment with various amines. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02456-5

文献信息

• Efficient synthesis of 8-substituted pyrazolo[1,5-a]-1,3,5-triazines by regioselective acylation
  作者：Pierre Raboisson、Dominique Schultz、Claire Lugnier、Jean-Jacques Bourguignon

  DOI：10.1016/s0040-4039(02)02456-5

  日期：2002.12

  An efficient two-step synthesis of 8-acylated pyrazolo[1,5-a]-1,3,5-triazines has been accomplished. The key strategic elements of this novel synthetic approach involve the use of the N-methyl-N-phenylamino activating group, which was easily obtained in high yield by treatment of the pyrazolotriazin-4-one with phosphorus oxychloride and dimethylaniline through high pressure reaction coupled with a regioselective acylation at position 8 followed by the subsequent displacement of the N-methyl-N-phenylamino group upon treatment with various amines. (C) 2002 Elsevier Science Ltd. All rights reserved.