4-[(3-甲基-1,2-恶唑-5-基)甲氧基]苯甲醛 | 1042783-47-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-[(3-甲基-1,2-恶唑-5-基)甲氧基]苯甲醛
• 英文名称: 4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde
• 英文别名: 4-((3-Methylisoxazol-5-yl)methoxy)benzaldehyde
• CAS: 1042783-47-0
• 化学式: C₁₂H₁₁NO₃
• mdl: MFCD11171287
• 分子量: 217.224
• InChiKey: SFCLLXWJLYCSGJ-UHFFFAOYSA-N

物化性质

• 熔点：
  105-106 °C
• 沸点：
  397.9±32.0 °C(predicted)
• 密度：
  1.219±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[(3-甲基-1,2-恶唑-5-基)甲氧基]苯甲醛 、 联苯胺 以 甲醇 为溶剂， 反应 0.75h， 以79%的产率得到N,N′-bis{(E)-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzylidene}biphenyl-4,4′-diamine
  参考文献：
  名称：

  Synthesis of functionally substituted isoxazole-containing benzaldehydes of the vanillin series and Schiff bases derived therefrom

  摘要：

  5-Chloromethyl-3-methyl-1,2-oxazole reacted with benzaldehydes of the vanillin series in the presence of potassium carbonate in boiling ethanol (Williamson reaction) to produce the corresponding isoxazolylmethyloxy-substituted benzaldehydes which were brought into condensation with aromatic amines and diamines in boiling methanol to obtain functionally substituted Schiff bases.

  DOI：

  10.1134/s1070428013100199
• 作为产物：
  描述：

  5-氯甲基-3-甲基异噁唑 、 对羟基苯甲醛 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以80%的产率得到4-[(3-甲基-1,2-恶唑-5-基)甲氧基]苯甲醛
  参考文献：
  名称：

  Synthesis of functionally substituted isoxazole-containing benzaldehydes of the vanillin series and Schiff bases derived therefrom

  摘要：

  5-Chloromethyl-3-methyl-1,2-oxazole reacted with benzaldehydes of the vanillin series in the presence of potassium carbonate in boiling ethanol (Williamson reaction) to produce the corresponding isoxazolylmethyloxy-substituted benzaldehydes which were brought into condensation with aromatic amines and diamines in boiling methanol to obtain functionally substituted Schiff bases.

  DOI：

  10.1134/s1070428013100199

文献信息

• Synthesis of functionally substituted isoxazole-containing benzaldehydes of the vanillin series and Schiff bases derived therefrom
  作者：E. A. Dikusar、R. A. Gadzhily、V. I. Potkin、S. K. Petkevich、T. D. Zvereva、A. G. Aliev、L. Ya. Gadzhieva

  DOI：10.1134/s1070428013100199

  日期：2013.10

  5-Chloromethyl-3-methyl-1,2-oxazole reacted with benzaldehydes of the vanillin series in the presence of potassium carbonate in boiling ethanol (Williamson reaction) to produce the corresponding isoxazolylmethyloxy-substituted benzaldehydes which were brought into condensation with aromatic amines and diamines in boiling methanol to obtain functionally substituted Schiff bases.