2-(2,6-diisopropylphenyl)-6-(4-(methylsulfinyl)phenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione | 1338215-67-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 2-(2,6-diisopropylphenyl)-6-(4-(methylsulfinyl)phenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
• CAS: 1338215-67-0
• 化学式: C₃₁H₂₉NO₃S
• 分子量: 495.642
• InChiKey: FXENVWJEDANGSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.29
• 重原子数：
  36.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  54.45
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2,6-二异丙基苯胺 在 四(三苯基膦)钯 、 copper(II) choride dihydrate 、 dichlorodioxobis(triphenylphosphineoxide)molybdenum(VI) 、 tetra-butyl ammonium nitrate 、 sodium carbonate 、 溶剂黄146 作用下， 以 乙醇 、 水 、 甲苯 、 乙腈 为溶剂， 反应 96.0h， 生成 2-(2,6-diisopropylphenyl)-6-(4-(methylsulfinyl)phenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
  参考文献：
  名称：

  Toward the Development of the Direct and Selective Detection of Nitrates by a Bioinspired Mo–Cu System

  摘要：

  The development of a new platform for the direct and selective detection of nitrates Is described. Two thioether-based chemosensors and the corresponding sulfoxides and sulfones were prepared, and their photophysical properties were evaluated. Upon selective sulfoxidation of these thioethers with nitrates via an oxygen-transfer reaction promoted by a bioinspired Mo-Cu system, significant fluorescence shifts were measured. A selective response of these systems, discriminating between nitrate salts and H2O2, was also shown.

  DOI：

  10.1021/ol2022627