2,5-bis(2,5-diethoxy-4-morpholinophenylamino)-3,6-diethoxy-p-benzoquinone | 1526941-50-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 2,5-bis(2,5-diethoxy-4-morpholinophenylamino)-3,6-diethoxy-p-benzoquinone
• 英文别名: 2,5-Bis(2,5-diethoxy-4-morpholin-4-ylanilino)-3,6-diethoxycyclohexa-2,5-diene-1,4-dione
• CAS: 1526941-50-3
• 化学式: C₃₈H₅₂N₄O₁₀
• 分子量: 724.852
• InChiKey: BXNPFVYQHJDULJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  52
• 可旋转键数：
  18
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  2,5-二乙氧基-4-吗啉基苯胺 以 aq. phosphate buffer 为溶剂， 以36%的产率得到2,5-bis(2,5-diethoxy-4-morpholinophenylamino)-3,6-diethoxy-p-benzoquinone
  参考文献：
  名称：

  Electrochemical oxidation of 2,5-diethoxy-4-morpholinoaniline in aqueous solutions

  摘要：

  Electrochemical oxidation of 2,5-diethoxy-4-morpholinoaniline (1) has been studied at various pH values using cyclic voltammetry and controlled-potential coulometry. The results indicate that electrochemically generated p-benzoquinonediimine (1ox) is unstable and participates in the two types of reactions based on solution's pH. The results also show that in the acidic media, electrochemically generated 1ox via two successive hydrolysis reactions is converted to 2,5-diethoxy-p-benzoquinone (3ox), while at intermediate pH values, the Michael addition reaction of 1-1ox takes place prior to the hydrolysis reaction. Our data show that in these pH values, 1ox via two successive Michael addition reactions followed by a hydrolysis reaction is converted to 2,5-bis(2,5-diethoxy-4-morpholinophenylamino)-3,6-diethoxy-p-benzoquinone (6ox). (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.electacta.2013.09.063