5-[4-(N,N-dimethylamino)phenyl]-2-(4-pyridyl)-1,3-oxazole | 151507-66-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-[4-(N,N-dimethylamino)phenyl]-2-(4-pyridyl)-1,3-oxazole
• 英文别名: N,N-Dimethyl-4-[2-(pyridin-4-yl)-1,3-oxazol-5-yl]aniline；N,N-dimethyl-4-(2-pyridin-4-yl-1,3-oxazol-5-yl)aniline
• CAS: 151507-66-3
• 化学式: C₁₆H₁₅N₃O
• 分子量: 265.315
• InChiKey: PSIIVIAKNUGSSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  异烟酸 、 2-amino-4'-dimethylaminoacetophenone hydrochloride 在 三氯氧磷 作用下， 反应 1.5h， 以67%的产率得到5-[4-(N,N-dimethylamino)phenyl]-2-(4-pyridyl)-1,3-oxazole
  参考文献：
  名称：

  5-[4-(N,N-Dimethylamino)Phenyl]-2-(4-Pyridyl)-1,3-Oxazole as a Fluorescent Probe for Monitoring Microheterogeneous Media

  摘要：

  The N,N-dimethylamino-gamma-pyridine analog of 2,5-diaryl-1,3-oxazole has been synthesized. Quantum-chemical modeling was carried out for the electronic absorption spectra and the effect of hydrogen bonding between the pyridine nitrogen atom and the water molecule on these spectra. The calculation results were compared with the experimental data for the solvent effect on the spectra of this compound. The feasibility of practical application of this derivative as a fluorescent probe was tested for determining the critical micelle concentration in aqueous solutions of nonionic, zwitterionic, cationic, and anionic surfactants.

  DOI：

  10.1007/s10593-014-1486-3