5-butoxycarbonylmethyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine | 1283748-39-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-butoxycarbonylmethyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
• 英文别名: Butyl 2-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetate
• CAS: 1283748-39-9
• 化学式: C₁₉H₂₁N₃O₂
• 分子量: 323.395
• InChiKey: FYBICALQEZFBAF-UHFFFAOYSA-N

物化性质

• 熔点：
  75-76 °C
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氨基-5-苯基吡唑 、 4-羟基-6-甲基-2-吡喃酮 、 正丁醇 反应 1.0h， 以69%的产率得到7-butoxycarbonylmethyl-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  One-step reaction leading to new pyrazolo[1,5-a]pyrimidines by condensation of 2-pyrone with 5(3)-amino-3(5)-arylpyrazoles

  摘要：

  Condensation of 5(3)-amino-3(5)-arylpyrazoles with 4-hydroxy-6-methylpyran-2-one leads to 5,7-dimethyl-2-arylpyrazolo[1,5-a]pyrimidines, 5-alkoxycarbonylmethyl-7-methyl-2-arylpyrazolo[1,5-a]pyrimidines and their isomeric 7-alkoxycarbonylmethyl-5-methyl-2-arylpyrazolo[1,5-a]pyrimidines. These compounds result from competitive reactions and from different cyclization pathways. Structure and mechanism of formation of these new products are reported. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.01.070

文献信息

• One-step reaction leading to new pyrazolo[1,5-a]pyrimidines by condensation of 2-pyrone with 5(3)-amino-3(5)-arylpyrazoles
  作者：Ibtissam Bassoude、Sabine Berteina-Raboin、Jean-Michel Leger、Christian Jarry、El Mokhtar Essassi、Gérald Guillaumet

  DOI：10.1016/j.tet.2011.01.070

  日期：2011.3

  Condensation of 5(3)-amino-3(5)-arylpyrazoles with 4-hydroxy-6-methylpyran-2-one leads to 5,7-dimethyl-2-arylpyrazolo[1,5-a]pyrimidines, 5-alkoxycarbonylmethyl-7-methyl-2-arylpyrazolo[1,5-a]pyrimidines and their isomeric 7-alkoxycarbonylmethyl-5-methyl-2-arylpyrazolo[1,5-a]pyrimidines. These compounds result from competitive reactions and from different cyclization pathways. Structure and mechanism of formation of these new products are reported. (C) 2011 Elsevier Ltd. All rights reserved.