2-(3-nitro-phenyl)-4,5-diphenyl-oxazole | 95947-45-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(3-nitro-phenyl)-4,5-diphenyl-oxazole
• 英文别名: 2-(3-nitrophenyl)-4,5-diphenyl-1,3-oxazole
• CAS: 95947-45-8
• 化学式: C₂₁H₁₄N₂O₃
• 分子量: 342.354
• InChiKey: TYCVPFCSJXESMN-UHFFFAOYSA-N

物化性质

• 沸点：
  510.6±52.0 °C(Predicted)
• 密度：
  1.253±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.58
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.17
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(3-nitro-phenyl)-4,5-diphenyl-oxazole 在 palladium on activated charcoal 一水合肼 作用下， 以 乙二醇甲醚 为溶剂， 反应 0.5h， 以70%的产率得到3-(4,5-diphenyloxazol-2-yl)aniline
  参考文献：
  名称：

  Synthese, Struktur und photophysikalische Eigenschaften von polyarylierten Imidazolen und Oxazolen

  摘要：

  23 tetraphenylimidazoles 1,2 and 11 triphenyloxazoles 4,5 with amino, nitro, methoxy, hydroxy, or halogeno substituents chiefly in the para position were prepared. The absorption and fluorescence emission properties were investigated in ethanolic solution. The effects of the substituents in 1,2 on the spectral shifts show that the arrangement of the phenyl rings in 1 position is not coplanar in relation to the heterocycle whereas the phenyl rings in 2 position are more coplanar. The spectral changes of compound 2a in solvents of various polarity (dielectric constants 2,02-47,24) are almost negligible. The Stokes shift is moderately increased. A remarkable increase in the fluorescence quantum yield is observed by chlorine substitution in phenyl ring 2.

  DOI：

  10.1002/prac.199733901131
• 作为产物：
  描述：

  3-nitro-N-(2-oxo-1,2-diphenylethyl)benzamide 在 硫酸 作用下， 反应 4.0h， 以82%的产率得到2-(3-nitro-phenyl)-4,5-diphenyl-oxazole
  参考文献：
  名称：

  Synthese, Struktur und photophysikalische Eigenschaften von polyarylierten Imidazolen und Oxazolen

  摘要：

  23 tetraphenylimidazoles 1,2 and 11 triphenyloxazoles 4,5 with amino, nitro, methoxy, hydroxy, or halogeno substituents chiefly in the para position were prepared. The absorption and fluorescence emission properties were investigated in ethanolic solution. The effects of the substituents in 1,2 on the spectral shifts show that the arrangement of the phenyl rings in 1 position is not coplanar in relation to the heterocycle whereas the phenyl rings in 2 position are more coplanar. The spectral changes of compound 2a in solvents of various polarity (dielectric constants 2,02-47,24) are almost negligible. The Stokes shift is moderately increased. A remarkable increase in the fluorescence quantum yield is observed by chlorine substitution in phenyl ring 2.

  DOI：

  10.1002/prac.199733901131

文献信息

• Lora-Tamayo,M. et al., Chemische Berichte, 1964, vol. 97, p. 2230 - 2233
  作者：Lora-Tamayo,M. et al.

  DOI：——

  日期：——