3-Hydroxy-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]chromen-4-one | 1196056-17-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 3-Hydroxy-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]chromen-4-one
• CAS: 1196056-17-3
• 化学式: C₂₄H₁₅NO₄
• 分子量: 381.387
• InChiKey: UQTMIZZIOWFDHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-Hydroxy-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]chromen-4-one 、 mercury(II) diacetate 以 甲醇 为溶剂， 生成 、
  参考文献：
  名称：

  Mercury Ions Complexation with a Series of Heterocyclic Derivatives of 3-Hydroxychromone: Spectral Effects and Prospects for Ultrasensitive Hg²⁺ Probing

  摘要：

  Complexation of three 3-hydroxychromone derivatives bearing a nitrogen-containing heterocyclic moiety in the position 2 of the chromone bicycle - benzimidazole, quinoline, and 2,5-diphenyloxazole, with mercury(II) ions is reported. Formation of chelate complexes with the metal cations coordinated with the cavity formed by 3-OH and 4-C=O groups was shown, as well as the possibility of side moiety heteroatom participation in binding of metal ions. High sensitivity to mercury of 2,5-diphenyloxazole-substituted 3-hydroxychromone was elucidated, allowing to detect Hg2+ below the maximum permissible concentration for drinking water. This makes the above-mentioned compound a prospective basis for development of sensors for ultralow mercury concentration detection in water. Unusual fluorescence ignition of 2-(quinolin-2-yl)-3-hydroxychromone at low Hg2+ concentrations, rarely observed for heavy metals ions complexation with organic fluorescent ligands, was discussed.

  DOI：

  10.1021/jp110974n