2-[5’-(N-4,6-dichloro-1,3,5-triazin-2-yl)-2’-hydroxyphenyl]benzoxazole | 1149804-19-2

• 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-[5’-(N-4,6-dichloro-1,3,5-triazin-2-yl)-2’-hydroxyphenyl]benzoxazole
• 英文别名: 2-[5'-(N-4,6-dichloro-1,3,5-triazin-2-yl)-2'-hydroxyphenyl]benzoxazole；2-(1,3-Benzoxazol-2-yl)-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenol
• CAS: 1149804-19-2
• 化学式: C₁₆H₉Cl₂N₅O₂
• 分子量: 374.186
• InChiKey: FCHFNZYGPXVIKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  97
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-[5’-(N-4,6-dichloro-1,3,5-triazin-2-yl)-2’-hydroxyphenyl]benzoxazole 在 sodium carbonate 作用下， 以 丙酮 为溶剂， 反应 36.0h， 生成 2,4,6-tri[2-(5’-aminyl-2’-hydroxphenyl)benzoxazole]-1,3,5-triazine
  参考文献：
  名称：

  Synthesis and Photophysical Characterization of Novel ESIPT Triazinyl-Benzazole Derivatives

  摘要：

  In this work, the synthesis, characterization and photophysical study of new derivatives of triazinyl-benzazoles with fluorescence by excited-state intramolecular proton transfer (ESIPT) are presented. It regards the synthesis of cyanuric chloride with different 2-(2'-hydroxyphenyl) benzazoles, two quite attractive groups from the synthetic and technological point of view. These new compounds have several potential applications such as biological markers and new photoluminescent materials. The derivatives were characterized by H-1 and C-13 nuclear magnetic resonance (NMR), Fourier transform infrared spectroscopy (FTIR), high-resolution mass spectrometry (HRMS), UV-Vis absorption and fluorescence emission. The dyes are fluorescent by an excited-state ESIPT in the blue-orange region, with a large Stokes' shift.

  DOI：

  10.5935/0103-5053.20150148
• 作为产物：
  描述：

  4-氨基-2-苯并噁唑-2-苯酚 、 三聚氯氰 以 丙酮 为溶剂， 反应 1.0h， 以83%的产率得到2-[5’-(N-4,6-dichloro-1,3,5-triazin-2-yl)-2’-hydroxyphenyl]benzoxazole
  参考文献：
  名称：

  Kuplich, Marcelo D.; Grasel, Fabio S.; Campo, Leandra F., Journal of the Brazilian Chemical Society, 2012, vol. 23, # 1, p. 25 - 31

  摘要：

  DOI：

文献信息

• ORGANIC FLUORESCENT COMPOSITIONS
  申请人：Honeywell International Inc.

  公开号：EP2215184B1

  公开（公告）日：2014-08-20
• [EN] ORGANIC FLUORESCENT COMPOSITIONS<br/>[FR] COMPOSITIONS ORGANIQUES FLUORESCENTES
  申请人：HONEYWELL INT INC

  公开号：WO2009061755A1

  公开（公告）日：2009-05-14

  A composition comprising an organic fluorophore having a structure of: Formula (I) or a derivative thereof; as well as articles of manufacture marked with the fluorophore, methods for marking articles with the fluorophore, and methods for producing a fluorescent fiber.