3-(4-fluorophenyl)-7-hydroxy-5-(4-hydroxy-3-methoxy phenyl)-N-(2-methoxyphenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide

• 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-(4-fluorophenyl)-7-hydroxy-5-(4-hydroxy-3-methoxy phenyl)-N-(2-methoxyphenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide
• 化学式: C₂₈H₂₇FN₄O₅
• 分子量: 518.545
• InChiKey: WLDYSXZIBCUMPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  38.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  117.87
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  邻甲氧基-N-乙酰乙酰苯胺 、 香草醛 、 4-(4-氟苯基)-1H-吡唑-5-胺 以 乙醇 为溶剂， 反应 1.5h， 以80%的产率得到3-(4-fluorophenyl)-7-hydroxy-5-(4-hydroxy-3-methoxy phenyl)-N-(2-methoxyphenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide
  参考文献：
  名称：

  Switchable selectivity in multicomponent heterocyclizations of acetoacetamides, aldehydes, and 3-amino-1,2,4-triazoles/5-aminopyrazoles

  摘要：

  Multicomponent heterocyclizations of 3-amino-1,2,4-triazoles/5-aminopyrazoles with acetoacetamides and aromatic aldehydes were studied in detail using conventional thermal heating, ultrasonication, and microwave irradiation. Several different synthetic pathways for these cyclocondensations occurring under either kinetic or thermodynamic control were established depending on the temperature regime and building block selection. The experimental data obtained and the procedures developed allow tuning selectivity of the multicomponent reactions studied. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.09.138