2-(4-butylphenyl)benzoxazole | 21412-57-7

• 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-(4-butylphenyl)benzoxazole
• 英文别名: 2-(p-butylphenyl)benzoxazole；2-(4-n-butylphenyl)benzoxazole；2-(4-Butylphenyl)-1,3-benzoxazole；2-(4-butylphenyl)-1,3-benzoxazole
• CAS: 21412-57-7
• 化学式: C₁₇H₁₇NO
• 分子量: 251.328
• InChiKey: NZDRCQXPSZALPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-丁基苄氯 、 2-氨基苯酚 在 吡啶 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 3.0h， 生成 2-(4-butylphenyl)benzoxazole
  参考文献：
  名称：

  Facile Access to Highly Fluorescent Nanofibers and Microcrystals via Reprecipitation of 2-Phenyl-benzoxazole Derivatives

  摘要：

  2-Phenyl-benzoxazole and five derivatives bearing an alkyl or alkoxy substituent on the phenyl ring were used to prepare aqueous suspensions of particles via a solvent-exchange method. In these conditions, the methyl and methoxy derivatives spontaneously gave nanofibers, while the other compounds led to microcrystals. This shows that minor chemical changes are enough to direct the formation of a given type of particle. From a spectroscopic viewpoint, all compounds strongly emit blue light in the solid state, with spectra much broader than those registered in n-heptane and ethanol solutions. The photoluminescence quantum yields reached 38% and were slightly affected in aqueous suspension by the polarity of the environment. The molecular arrangement, deduced from X-ray analysis for the methyl and methoxy derivatives, was used to explain the fluorescence properties in the solid state. This work shows that 2-phenyl-benzoxazole derivatives are interesting candidates for applications as fluorescent nanomaterials, including in aqueous and biological media.

  DOI：

  10.1021/la2036554