1-(4'-methoxylphenyl)-3-phenyl-4-formyl-2-pyrazolin-5-one | 1315480-33-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4'-methoxylphenyl)-3-phenyl-4-formyl-2-pyrazolin-5-one
• 英文别名: 1-(4-methoxyphenyl)-5-oxo-3-phenyl-4H-pyrazole-4-carbaldehyde
• CAS: 1315480-33-1
• 化学式: C₁₇H₁₄N₂O₃
• 分子量: 294.31
• InChiKey: PTJBJCMALYMOFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  59
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N,N-二乙基甲酰胺 、 2-(4-methoxyphenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one 在 三氯氧磷 、 水 、 碳酸氢钠 作用下， 以87%的产率得到1-(4'-methoxylphenyl)-3-phenyl-4-formyl-2-pyrazolin-5-one
  参考文献：
  名称：

  New investigation of Vilsmeier-type reaction using pyrazolones with various amides

  摘要：

  New investigation of Vilsmeier-type reaction was evaluated to realize the solvent effect by using pyrazolones to react with various of amides, including formamide, N-methylformamide, N-propylformamide, N-tert-butylformamide, N,N-dimethylformamide (DMF), N,N-diethylformamide (DEF), N,N-dipropylformamide (DPF), N,N-diisopropylformamide, N,N-dibutylformamide, piperidine-l-carbaldehyde, and pyrrolidine-l-carbaldehyde, in the presence of phosphorous oxychloride POCl3. The unexpected resulting products were observed in this work according to the difference chemoseletivities of substituted amides. The plausible reactive pathways were proposed to explain the experimental result. Crown Copyright (C) 2011 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.05.055