2-(4-Chloro-phenyl)-2-[2-(4-nitro-phenyl)-ethylamino]-1-phenyl-ethanol | 131545-74-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-(4-Chloro-phenyl)-2-[2-(4-nitro-phenyl)-ethylamino]-1-phenyl-ethanol
• CAS: 131545-74-9
• 化学式: C₂₂H₂₁ClN₂O₃
• 分子量: 396.873
• InChiKey: JUZNYFJYIWRIHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.86
• 重原子数：
  28.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  75.4
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  4-硝基苄胺 、 trans-2-(4-chlorobenzenyl)-3-phenyl-oxirane 以 苯 为溶剂， 反应 48.0h， 以86%的产率得到2-(4-Chloro-phenyl)-2-[2-(4-nitro-phenyl)-ethylamino]-1-phenyl-ethanol
  参考文献：
  名称：

  Exciplex emission and photofragmentation reactions of contact ion pairs generated via quenching of cyanoaromatic singlets by amino alcohols

  摘要：

  Intermolecular quenching of singlet cyanoaromatics by 1,2-amino alcohols in nonpolar solvents results in an oxidative fragmentation of the amino alcohol donor concurrent with two-electron reduction of the cyanoaromatic. In several cases the reactive pairs exhibit weak exciplex fluorescence which can be closely correlated with the fragmentation; the attenuation of exciplex fluorescence as well as the photofragmentation as solvent polarity is increased for the intermolecular reaction indicates that a contact ion pair exciplex is the reactive intermediate. Molecules containing both an electron acceptor and an amino alcohol exhibit strong exciplex fluorescence and enhanced photofragmentation efficiencies in nonpolar solvents; both exciplex fluorescence and fragmentation persist in these cases as solvent polarity increases. An increase in fragmentation and decrease in fluorescence yields is observed as solvent polarity or base strength is increased, again indicating that the reactive state is an emissive ion-pair exciplex.

  DOI：

  10.1021/j100158a019