2-羟基-4,6-二硝基苯甲腈 | 71370-77-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-羟基-4,6-二硝基苯甲腈
• 英文名称: 2-hydroxy-4,6-dinitrobenzonitrile
• CAS: 71370-77-9
• 化学式: C₇H₃N₃O₅
• 分子量: 209.118
• InChiKey: NMYMBJHAIRTHDC-UHFFFAOYSA-N

物化性质

• 沸点：
  446.2±45.0 °C(Predicted)
• 密度：
  1.72±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  136
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-(1,3-dioxolan-2-yl)-4,6-dinitrobenzo[d]isoxazole 在 硫酸 、 硝酸 作用下， 反应 8.0h， 以85%的产率得到2-羟基-4,6-二硝基苯甲腈
  参考文献：
  名称：

  摘要：

  A new procedure was developed for the preparation of 4,6-dinitro-3-R-benzo[d]isoxazoles (R are derivatives of the aldehyde group) based on 2,4,6-trinitrophenylacetaldehyde. The resulting compounds are characterized by the regiospecific substitution of the nitro group at position 4 under the action of anionic nucleophiles RS-, RO-, F-, or N-3(-), Which allowed the development of a new method for the preparation of previously unknown 4-Nu-6-nitro-3-R-benzo[d]isoxazoles (Nu is the residue of a nucleophile). At the same time, oxidative nucleophilic substitution under the action of anions of some beta -dicarbonyl compounds leads to the replacement of the hydrogen atom at position 7 with the corresponding C-nucleophiles.

  DOI：

  10.1023/a:1011313324497

文献信息

• ——
  作者：V. M. Vinogradov、I. L. Dalinger、A. M. Starosotnikov、S. A. Shevelev

  DOI：10.1023/a:1011313324497

  日期：——

  A new procedure was developed for the preparation of 4,6-dinitro-3-R-benzo[d]isoxazoles (R are derivatives of the aldehyde group) based on 2,4,6-trinitrophenylacetaldehyde. The resulting compounds are characterized by the regiospecific substitution of the nitro group at position 4 under the action of anionic nucleophiles RS-, RO-, F-, or N-3(-), Which allowed the development of a new method for the preparation of previously unknown 4-Nu-6-nitro-3-R-benzo[d]isoxazoles (Nu is the residue of a nucleophile). At the same time, oxidative nucleophilic substitution under the action of anions of some beta -dicarbonyl compounds leads to the replacement of the hydrogen atom at position 7 with the corresponding C-nucleophiles.