2-(4-Chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-Chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
• 化学式: C₁₄H₉ClF₃N₃
• mdl: MFCD01846713
• 分子量: 311.694
• InChiKey: GGUIKWCBLAVDRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 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-(4-氯苯基)-1H-吡唑-5-胺 以 二氯甲烷 为溶剂， 生成 2-(4-Chlorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  摘要：

  DOI：

  10.1023/a:1025512924673

文献信息

• ——
  作者：E. E. Emelina、A. A. Petrov、A. V. Firsov

  DOI：10.1023/a:1012417816375

  日期：——

  A regioselective synthesis was carried out of 7-trifluoromethylpyrazolo[1,5-a]pyrimidines by reaction of 3(5)aminopyrazoles with 1,3-diketones containing CF3 group. The characteristic chemical shifts were established for C-5 and C-7 atoms of the pyrimidine ring and of substituents thereof in the H-1, C-13, and F-19 NMR spectra of pyrazolo[1,5-a]pyrimidines.
• α-aminoazoles in the Synthesis of heterocycles: V. Synthesis of azolo[1,5-a]pyrimidines from 2-ethoxyvinyl trifluoromethyl ketones and 2,2-diethoxyvinyl trifluoromethyl ketone
  作者：E. E. Emelina、A. A. Petrov

  DOI：10.1134/s1070428009030117

  日期：2009.3

  A procedure was proposed for the synthesis of 7-trifluoromethylazolo[1,5-a]pyrimidines by reactions of 2-ethoxyvinyl trifluoromethyl ketones and 2,2-diethoxyvinyl trifluoromethyl ketone with 5(3)-aminoazoles. The reactions occurred under mild conditions, and the products were formed with high yield and regioselectivity.