4-(N-cytisinyl)benzaldehyde | 399003-60-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 4-(N-cytisinyl)benzaldehyde
• 英文别名: 2-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide
• CAS: 399003-60-2
• 化学式: C₁₈H₁₉N₃O₃
• 分子量: 325.367
• InChiKey: LXSUZVUZPCIEMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  74.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对氟苯甲醛 在 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 4-(N-cytisinyl)benzaldehyde
  参考文献：
  名称：

  Synthesis, structure and chemical transformations of 4-aminobenzaldehyde

  摘要：

  A possibility of nucleophilic substitution of the fluorine atom in 4-fluorobenzaldehyde with amines (morpholine, piperidine or cytisine) under convection heating and microwave irradiation was shown. Reactions of 4-morpholinyl- and 4-piperidinylbenzaldehyde with hydrazides of isonicotinic and salicylic acids afford the corresponding hydrazones. The structure of the synthesized compounds was confirmed by IR, H-1 NMR spectroscopy, mass spectrometry, and X-ray analysis data.

  DOI：

  10.1134/s1070363213100113

文献信息

• Synthesis, structure and chemical transformations of 4-aminobenzaldehyde
  作者：O. A. Nurkenov、S. D. Fazylov、A. E. Arinova、K. M. Turdybekov、D. M. Turdybekov、S. A. Talipov、B. T. Ibragimov

  DOI：10.1134/s1070363213100113

  日期：2013.10

  A possibility of nucleophilic substitution of the fluorine atom in 4-fluorobenzaldehyde with amines (morpholine, piperidine or cytisine) under convection heating and microwave irradiation was shown. Reactions of 4-morpholinyl- and 4-piperidinylbenzaldehyde with hydrazides of isonicotinic and salicylic acids afford the corresponding hydrazones. The structure of the synthesized compounds was confirmed by IR, H-1 NMR spectroscopy, mass spectrometry, and X-ray analysis data.