| 1623149-42-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• CAS: 1623149-42-7
• 化学式: C₇H₁₁Br₃N₄
• 分子量: 390.903
• InChiKey: YTZLAVBRTPDVPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  14.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  56.73
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2,2,4-三甲基-1,2,3,4-四氢-喹啉-8-醇 、 在 sodium nitrite 作用下， 以 甲醇 为溶剂， 生成 6-((1-(3-bromo-2,2-bis(bromomethyl)propyl)-1H-1,2,4-triazol-3-yl)diazenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-8-ol
  参考文献：
  名称：

  Spectral and time-resolved properties of novel hetarylazo dyes containing hydrogenated quinolines and triazole moieties

  摘要：

  The spectral characteristics of novel hetarylazo dyes containing triazole and hydrogenated quinoline moieties and the spectral and time-resolved parameters of photochemical processes occurring upon their photoexcitation were studied by stationary spectrophotometry and pulse photolysis. All compounds have an intense absorption maximum in the visible spectral range at 470-500 nm with epsilon = 17000-27000 L mol(-1) cm(-1). Upon excitation with the visible light, reversible trans-cis photoisomerization occurs, which is followed by thermal cis-trans isomerization. The temporal parameters of the isomerization depend on the azo dye structure. The introduction of bulky substituents in the triazole and hydroquinoline moieties results in the increase in characteristic times of the thermal transformation of the generated transient species from milliseconds to seconds and in the partial irreversibility of the process.

  DOI：

  10.1134/s0018143914040080