7-trifluoromethyl-2-methyl-5-(4-methylphenyl)-pyrazolo[1,5-a]pyrimidine | 626207-50-9

• 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: 7-trifluoromethyl-2-methyl-5-(4-methylphenyl)-pyrazolo[1,5-a]pyrimidine
• 英文别名: 2-methyl-5-(p-tolyl)-7-trifluoromethylpyrazolo[1,5-a]pyrimidine；2-Methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
• CAS: 626207-50-9
• 化学式: C₁₅H₁₂F₃N₃
• mdl: MFCD03716827
• 分子量: 291.276
• InChiKey: MNWCLDFGVKEPBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氨基-5-甲基吡唑 、 1,1,1-三氟-4-甲氧基-4-(4-甲基苯基)-3-丁烯-2-酮 以 乙醇 为溶剂， 反应 0.08h， 以98%的产率得到7-trifluoromethyl-2-methyl-5-(4-methylphenyl)-pyrazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  Resourceful synthesis of pyrazolo[1,5-a]pyrimidines under ultrasound irradiation

  摘要：

  Pyrazolo[1,5-a]pyrimidines were synthesized via the ultrasonic sonochemical method using the cyclo-condensation reaction of 4-alkoxy-1,1,1-trifluoro-3-alken-2-ones [CF3(C)(O)CH = C(R)(OMe) - where R = Me, Bu, i-Bu, Ph, 4-Me-C6H4, 4-F-C6H4, 4-CI-C6H4, 4-Br-C6H4, naphth-2-yl and biphen-4-yl] - with 3-amino-5-methyl-1H-pyrazole in the presence of EtOH for 5 min. This methodology has several advantages, for example, it is a simple procedure, it has an easy work-up, Mild conditions, short reaction times (5 min) and produces satisfactory yields (61-98%). (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ultsonch.2013.02.006

文献信息

• Resourceful synthesis of pyrazolo[1,5-a]pyrimidines under ultrasound irradiation
  作者：Lilian Buriol、Taiana S. München、Clarissa P. Frizzo、Mara R.B. Marzari、Nilo Zanatta、Helio G. Bonacorso、Marcos A.P. Martins

  DOI：10.1016/j.ultsonch.2013.02.006

  日期：2013.9

  Pyrazolo[1,5-a]pyrimidines were synthesized via the ultrasonic sonochemical method using the cyclo-condensation reaction of 4-alkoxy-1,1,1-trifluoro-3-alken-2-ones [CF3(C)(O)CH = C(R)(OMe) - where R = Me, Bu, i-Bu, Ph, 4-Me-C6H4, 4-F-C6H4, 4-CI-C6H4, 4-Br-C6H4, naphth-2-yl and biphen-4-yl] - with 3-amino-5-methyl-1H-pyrazole in the presence of EtOH for 5 min. This methodology has several advantages, for example, it is a simple procedure, it has an easy work-up, Mild conditions, short reaction times (5 min) and produces satisfactory yields (61-98%). (C) 2013 Elsevier B.V. All rights reserved.