| 1569668-70-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 1569668-70-7
• 化学式: C₁₈H₁₅N₃O₃
• 分子量: 321.335
• InChiKey: FYQULXFPRQZWDO-UHFFFAOYSA-N

物化性质

• 沸点：
  592.8±50.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.99
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  105.44
• 氢给体数：
  5.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  对氨基苯酚 在 due ferri(III) protein DF-C₁ 、 氧气 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  De Novo异源二聚体铁蛋白可最大程度地减少依赖于双氧的氧化反应中的中间体的释放

  摘要：

  不仅是四螺旋束：具有不对称活性位点的二铁结合四螺旋束支架的使用会导致铁催化的酚氧化偶联的选择性增强。结合口袋中被氧化的中间体的稳定化使得四电子O 2净减少，而不会释放任何可检测的H 2 O 2。

  DOI：

  10.1002/anie.201707637

文献信息

• Laccase-Catalysed Homocoupling of Primary Aromatic Amines towards the Biosynthesis of Dyes
  作者：Ana Catarina Sousa、Lígia O. Martins、M. Paula Robalo

  DOI：10.1002/adsc.201300501

  日期：2013.10.11

  AbstractColoured disubstituted benzoquinonimine trimeric structures are obtained as main reaction products of the oxidation of p‐electron donor primary aromatic amines using two different laccases, CotA‐laccase from Baccilus subtilus and TvL from Trametes versicolor. These orange‐red to purple products, presenting high molar extinction coefficients, presumably result from oxidative homocoupling reactions, through the formation of NC bonds at positions 2 and 5, of the laccase oxidised intermediate as showed in the proposed oxidative pathway. The product of 1,4‐phenylenediamine is shown to be the trimer known as Bandrowski’s base which has an established role in hair and fur dyeing. Our results also show that the occurrence and/or rates of oxidation of aromatic amines are strongly dependent on the presence of p‐electron releasing substituents in the aromatic ring and are independent on the properties of the enzyme used. Overall our data contribute for (i) understanding key features of laccase reactivity with p‐substituted aromatic amines and (ii) establishing enzymatic processes that lead to the synthesis of coloured bio‐products under mild conditions with potential impact in the cosmetic and dye industries.magnified image