2-[2-(4-nitrophenyl)hydrazono]-3-oxobutanal

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[2-(4-nitrophenyl)hydrazono]-3-oxobutanal
• 英文别名: 2-(4-nitro-phenylhydrazono)-3-oxo-butyraldehyde；(2E)-2-[(4-nitrophenyl)hydrazinylidene]-3-oxobutanal
• 化学式: C₁₀H₉N₃O₄
• 分子量: 235.199
• InChiKey: DYIQWPIROOZGLK-ZRDIBKRKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.15
• 重原子数：
  17.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  101.67
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  乙酰乙醛 、 4-nitrobenzenediazonium tetrafluoroborate 生成 2-[2-(4-nitrophenyl)hydrazono]-3-oxobutanal
  参考文献：
  名称：

  Huenig; Boes, Justus Liebigs Annalen der Chemie, 1953, vol. 579, p. 28,42, 43

  摘要：

  DOI：

文献信息

• Reactions under Pressure: Synthesis of Functionally Substituted Arylhydrazonal Derivatives as Precursors of Novel Pyridazines and Nicotinates
  作者：K. M. Al Zaydi、M. A. Al-Johani、N. F. Alqahtani、S. M. Mousally、N. Hilmy Elnagdi

  DOI：10.1134/s1070363220040234

  日期：2020.4

  Q-tube assisted multicomponent synthesis of novel arylhydrazonals, pyridazines and nicotinates has been explored. The target molecules have been prepared via one pot reaction of arylhydrazonals with activated methylene nitriles in either ethanolic piperidine, dimethyl acetylene dicarboxylate (DMAD), 1,4-diazobicyclo[2.2.2]octane (DABCO), or Ph3P under pressure. Such conditions make reaction time much shorter and yields higher as compared with those conducted under conventional conditions. The structures of products have been determined by X-ray crystallography and spectroscopic methods.
• Huenig; Boes, Justus Liebigs Annalen der Chemie, 1953, vol. 579, p. 28,42, 43
  作者：Huenig、Boes

  DOI：——

  日期：——