1-(3-formyl-4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde | 1426830-33-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(3-formyl-4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
• 英文别名: 1-(3-Formyl-4-methoxyphenyl)pyrazole-4-carbaldehyde；1-(3-formyl-4-methoxyphenyl)pyrazole-4-carbaldehyde
• CAS: 1426830-33-2
• 化学式: C₁₂H₁₀N₂O₃
• 分子量: 230.223
• InChiKey: MCMXNLADHQIPHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  61.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  乌洛托品 、 1-(4-甲氧基苯基)-1H-吡唑 在 三氟乙酸 作用下， 反应 12.0h， 生成 1-(3-formyl-4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde 、 1-(4-甲氧基苯基)吡唑-4-甲醛
  参考文献：
  名称：

  Chemoselective and Regiospecific Formylation of 1-Phenyl-1H-pyrazoles Through the Duff Reaction

  摘要：

  The synthesis of formylated 1-phenyl-1H-pyrazole derivatives under the Duff reaction conditions is reported. Our results indicate that 1-phenyl-1H-pyrazole systems containing electron-withdrawing and electron-donating substituents at the phenyl moiety react under the Duff reaction conditions to furnish formylated derivatives in good yields.

  DOI：

  10.1080/00397911.2012.657764

文献信息

• Chemoselective and Regiospecific Formylation of 1-Phenyl-1<i>H</i>-pyrazoles Through the Duff Reaction
  作者：C. H. A. de Oliveira、L. M. Mairink、F. Pazini、L. M. Lião、A. L. de Oliveira、C. Viegas、V. de Oliveira、L. C. Cunha、F. G. F. Oliveira、J. L. Paz、M. N. Eberlin、Ricardo Menegatti

  DOI：10.1080/00397911.2012.657764

  日期：2013.6.18

  The synthesis of formylated 1-phenyl-1H-pyrazole derivatives under the Duff reaction conditions is reported. Our results indicate that 1-phenyl-1H-pyrazole systems containing electron-withdrawing and electron-donating substituents at the phenyl moiety react under the Duff reaction conditions to furnish formylated derivatives in good yields.