[2-(4-Methoxyphenyl)-4-sulfanylidenequinazolin-3-yl] hexadecanoate | 135340-22-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: [2-(4-Methoxyphenyl)-4-sulfanylidenequinazolin-3-yl] hexadecanoate
• CAS: 135340-22-6
• 化学式: C₃₁H₄₂N₂O₃S
• 分子量: 522.752
• InChiKey: FENGUEVWCYHYKA-UHFFFAOYSA-N

物化性质

• 沸点：
  620.8±57.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  37
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  83.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  三氯溴甲烷 、 [2-(4-Methoxyphenyl)-4-sulfanylidenequinazolin-3-yl] hexadecanoate 以 二氯甲烷 为溶剂， 反应 0.08h， 以97%的产率得到2-(4-Methoxy-phenyl)-4-trichloromethylsulfanyl-quinazoline
  参考文献：
  名称：

  Quantum yields in the photochemically induced radical chemistry of acyl derivatives of thiohydroxamic acids

  摘要：

  Acyl derivatives of N-hydroxyquinazoline-4-thiones are a novel source of disciplined carbon radicals. Quantum yield determination reveals that photolysis of these compounds initiates radical chains, resulting in quantum yields up to PHI = 60. Comparative studies with acyl derivatives of N-hydroxy-2-thiopyridone show that the quinazoline derivatives are more light-sensitive than the thiopyridone compounds. The carbon radicals thus formed from the former can be trapped selectively, without the formation of rearranged products (i.e. without the competition of the radicophilic thiocarbonyl group of the starting material with the radical trap).

  DOI：

  10.1021/ja00018a034