1-n-butyl-3,10-diphenyldiimidazo[1,2-a:2′,1′-c]quinoxalinium p-toluenesulfonate | 1425513-01-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-n-butyl-3,10-diphenyldiimidazo[1,2-a:2′,1′-c]quinoxalinium p-toluenesulfonate
• 英文别名: 5-Butyl-3,10-diphenyl-2,8,11-triaza-5-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;4-methylbenzenesulfonate；5-butyl-3,10-diphenyl-2,8,11-triaza-5-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;4-methylbenzenesulfonate
• CAS: 1425513-01-4
• 化学式: C₇H₇O₃S*C₂₈H₂₅N₄
• 分子量: 588.73
• InChiKey: XMNCLLUCHYLGTQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  7.06
• 重原子数：
  43
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  92.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对甲苯磺酸正丁酯 、 3,10-diphenyldiimidazo[1,2-a:2',1'-c]quinoxaline 以 乙腈 为溶剂， 反应 24.0h， 以41%的产率得到1-n-butyl-3,10-diphenyldiimidazo[1,2-a:2′,1′-c]quinoxalinium p-toluenesulfonate
  参考文献：
  名称：

  Fluorescence of Diimidazo[1,2-a:2′,1′-c]quinoxalinium Salts Under Various Conditions

  摘要：

  The synthesis and photophysical properties of diimidazo[1,2-a:2',1'-c]quinoxalinium salts were examined for different counteranions. The ethyl-substituted diimidazo[1,2-a:2',1'-c]quinoxalinium salt with tosylate anion (categolized in ionic liquid) showed good fluorescence (Phi(F) = 0.77) in organic solvent. The 3,10-diphenyldiimidazo[1,2-a:2',1'-c]quinoxalinium salts showed absorption and fluorescence peaks resembling those of the former diimidazoquinoxaline. The salt also emitted under various conditions such as in organic solvents, water, and even in the solid state, while retaining a good fluorescence quantum yield (Phi(F) = 0.5-0.8). Furthermore, the fluorescence was quenched efficiently through the introduction of an electron-donating substituent on the alkyl side chain.

  DOI：

  10.1021/jo302531g