3,5-dimethyl-2,6-dinitrophenol | 99584-19-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3,5-dimethyl-2,6-dinitrophenol
• 英文别名: 4.6-dinitro-5-hydroxy-m-xylene；4.6-Dinitro-5-hydroxy-m-xylol
• CAS: 99584-19-7
• 化学式: C₈H₈N₂O₅
• 分子量: 212.162
• InChiKey: GJBNSYDIBMGFHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3,5-dimethyl-2,6-dinitro-p-diazoquinone 在 次磷酸 作用下， 以 水 为溶剂， 反应 72.0h， 以65%的产率得到3,5-dimethyl-2,6-dinitrophenol
  参考文献：
  名称：

  Synthesis and reactions of some dinitrodiazoquinones

  摘要：

  Some novel highly substituted diazoquinones have been synthesised in one step from simple anilines by treatment with nitric acid in sulfuric acid solution. The reaction is proposed to proceed via an N,3,4,5-tetranitroaniline which on its reaction pathway undergoes a nitro-nitrito rearrangement. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00223-9

文献信息

• Rowe et al., Journal of the Society of Chemical Industry, 1930, vol. 49, p. 469 T, 472 T
  作者：Rowe et al.

  DOI：——

  日期：——
• Synthesis and reactions of some dinitrodiazoquinones
  作者：Jan Bergman、Thomas Brimert

  DOI：10.1016/s0040-4020(99)00223-9

  日期：1999.4

  Some novel highly substituted diazoquinones have been synthesised in one step from simple anilines by treatment with nitric acid in sulfuric acid solution. The reaction is proposed to proceed via an N,3,4,5-tetranitroaniline which on its reaction pathway undergoes a nitro-nitrito rearrangement. (C) 1999 Elsevier Science Ltd. All rights reserved.