N,N-diethyl-2-(2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide | 1246312-07-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N,N-diethyl-2-(2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide
• CAS: 1246312-07-1
• 化学式: C₃₁H₃₀N₄O₂
• 分子量: 490.605
• InChiKey: HVKLMXJTIAIIKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.15
• 重原子数：
  37.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  59.73
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  二苯甲酰基甲烷 、 2-[3-amino-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-N,N-diethylacetamide 以 乙醇 为溶剂， 反应 0.75h， 以5%的产率得到N,N-diethyl-2-(2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide
  参考文献：
  名称：

  Microwave-assisted organic synthesis of a high-affinity pyrazolo-pyrimidinyl TSPO ligand

  摘要：

  We herein report a dramatically improved total synthesis of the high-affinity translocator protein (TSPO) ligand DPA-714, featuring microwave-assisted organic synthesis (MAOS). Compared with previously described approaches, our novel MAOS method dramatically reduces overall reaction time without adversely effecting reaction yields. We envision that the described MAOS protocol may be suitably applied to high-throughput, diversity-oriented synthesis of novel compounds based on the pyrazolo-pyrimidinyl scaffold. Such an approach could accelerate the development of focused libraries of novel TSPO ligands with potential for future development as molecular imaging and therapeutic agents. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.06.074