4-(2-methoxyphenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-ol | 1422751-28-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(2-methoxyphenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-ol
• CAS: 1422751-28-7
• 化学式: C₁₇H₁₃F₃N₂O₂
• 分子量: 334.298
• InChiKey: LBSZHDYMISXMRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.27
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  47.28
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  4-diazo-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one 、 苯甲醚 在 dirhodium tetraacetate 作用下， 反应 3.0h， 以63%的产率得到4-(4-methoxyphenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-ol
  参考文献：
  名称：

  The Rh2(OAc)4-catalyzed reactions of 3-trifluoromethyl-4-diazopyrazolinones with aromatic compounds

  摘要：

  The C H insertion reactions of 3-trifluoromethy1-4-diazopyrazolinones 1 with benzene and its derivatives catalyzed by Rh-2(OAc)(4) were studied. It was found that the Csp(2)-H insertion products were obtained in good yields when anisole or xylene etc. was used, while the aromatic compounds with electronic-withdrawing groups, such as fluorobenzene, chlorobenzene, and benzonitrile, did not react with the diazo compounds 1. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.12.077