6,6'-diethoxy-2,2,4,2',2',4'-hexamethyl-2H,2'H-[1,1']biquinolyl | 119533-21-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6,6'-diethoxy-2,2,4,2',2',4'-hexamethyl-2H,2'H-[1,1']biquinolyl
• 英文别名: 6,6'-diethoxy-2,2,4,2',2',4'-hexamethyl-2H,2'H-[1,1']biquinolyl；6,6'-Diaethoxy-2,2,4,2',2',4'-hexamethyl-2H,2'H-[1,1']bichinolyl
• CAS: 119533-21-0
• 化学式: C₂₈H₃₆N₂O₂
• 分子量: 432.606
• InChiKey: XGJWHSJPUBUYES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  24.94
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  乙氧基喹啉 在 potassium permanganate 、 丙酮 作用下， 生成 6,6'-diethoxy-2,2,4,2',2',4'-hexamethyl-2H,2'H-[1,1']biquinolyl
  参考文献：
  名称：

  Oxidation products of 6-substituted-2, 2, 4-trialkyl dihydroquinolines

  摘要：

  公开号：

  US02849452A1

文献信息

• A new insight into ethoxyquin fate in surface waters: Stability, direct and indirect photochemical behaviour and the identification of main products
  作者：Aziza Toure Bintou、Angelica Bianco、Gilles Mailhot、Marcello Brigante

  DOI：10.1016/j.jphotochem.2015.06.030

  日期：2015.10

  In this work, the fate of ethoxyquin (ETX), an antioxidant used as a food preservative and a pesticide, is investigated under ultraviolet and visible irradiation. The fast photolysis observed under environmentally closed conditions results in estimated degradation rates (R-ETX(d)) of 1.6 x 10(-8) and 8.7 x 10(-7) M s(-1) at pH 2.7 and 8.0, respectively. Under our experimental conditions, the polychromatic quantum yield (phi(ETX)) is evaluated to be 5.0 x 10(-3) and 1.4 x 10(-4) for the protonated and anionic forms of ETX, respectively. The effect of hydroxyl radical on ETX degradation is evaluated, and the degradation kinetics profiles suggest that transformation via hydroxyl radical can be neglected compared with direct photolysis. Structures for the main degradation products (hydrolysis, photochemical and HO center dot- mediated derivative) are proposed. The kinetic parameters are used as inputs in APEX software to model the degradation of ETX as a function of different scenarios in surface waters. Finally, the irradiation of ETX under sun-simulated conditions estimates the life of this compound to be similar to 38 s. (C) 2015 Elsevier B.V. All rights reserved.