5,7-dimethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine | 331422-56-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5,7-dimethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
• 英文别名: 2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
• CAS: 331422-56-1
• 化学式: C₁₅H₁₅N₃O
• mdl: MFCD00687667
• 分子量: 253.304
• InChiKey: CMJGBTXOHJQXLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  39.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  草酰氯 、 N-甲基苯胺 、 5,7-dimethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine 在 N,N-二异丙基乙胺 、 吡啶 作用下， 以 二氯甲烷 、 四氢呋喃 为溶剂， 以42 %的产率得到2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-2-oxo-N-phenylacetamide
  参考文献：
  名称：

  TSPO LIGANDS

  摘要：

  The invention relates to compounds of formula (I), optionally radiolabelled with a radionuclide, and pharmaceutically acceptable salts, solvates, tautomers, N-oxides, stereoisomers and/or polymorphs thereof. Also disclosed are methods of using the compounds of formula (I) for detecting translocator protein (18 kDa) (TSPO). Further disclosed are methods of using the compounds of formula (I) for diagnosing and/or treating a disease, disorder or condition associated with TSPO.

  公开号：

  WO2024103126A1
• 作为产物：
  描述：

  4-甲氧基苯甲酸甲酯 在 potassium tert-butylate 、 一水合肼 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 19.0h， 生成 5,7-dimethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  TSPO LIGANDS

  摘要：

  The invention relates to compounds of formula (I), optionally radiolabelled with a radionuclide, and pharmaceutically acceptable salts, solvates, tautomers, N-oxides, stereoisomers and/or polymorphs thereof. Also disclosed are methods of using the compounds of formula (I) for detecting translocator protein (18 kDa) (TSPO). Further disclosed are methods of using the compounds of formula (I) for diagnosing and/or treating a disease, disorder or condition associated with TSPO.

  公开号：

  WO2024103126A1

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.