2-ethyl-5-[(4-trifluoromethylphenyl)ureidocarbamoyl]-benzo[d,e]isoquinoline-1,3-dione | 1292800-87-3

• 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-ethyl-5-[(4-trifluoromethylphenyl)ureidocarbamoyl]-benzo[d,e]isoquinoline-1,3-dione
• 英文别名: 1-(2-Ethyl-1,3-dioxobenzo[de]isoquinolin-5-yl)-3-[4-(trifluoromethyl)phenyl]urea；1-(2-ethyl-1,3-dioxobenzo[de]isoquinolin-5-yl)-3-[4-(trifluoromethyl)phenyl]urea
• CAS: 1292800-87-3
• 化学式: C₂₂H₁₆F₃N₃O₃
• 分子量: 427.383
• InChiKey: UVIWZNMKDAZKQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  78.5
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-硝基-1,8-萘二甲酸酐 在 palladium 10% on activated carbon 、 氢气 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 20.0 ℃ 、303.99 kPa 条件下， 反应 40.0h， 生成 2-ethyl-5-[(4-trifluoromethylphenyl)ureidocarbamoyl]-benzo[d,e]isoquinoline-1,3-dione
  参考文献：
  名称：

  3-Urea-1,8-naphthalimides are good chemosensors: a highly selective dual colorimetric and fluorescent ICT based anion sensor for fluoride

  摘要：

  The 1,8-naphthalimide sensor 1 was developed as a colorimetric and fluorescent sensor for anions. Being the first example of such anion sensors, where the 3-position of the naphthalimide ring is used to incorporate the anion recognition moiety, in this case a trifluromethyl derived aryl urea moiety, the sensors gave rise to significant changes in both the absorption and the emission spectra, which were both red shifted upon interacting with anions. The changes were most pronounced for fluoride, and to a lesser extent for acetate and hydrogen phosphate, in DMSO, making 1 a highly selective sensor for F-. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.01.099