1,2,3-trihydroxy-4,6-dichlorobenzene | 87441-03-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1,2,3-trihydroxy-4,6-dichlorobenzene
• 英文别名: 4,6-dichloropyrogallol；4,6-dichloro-pyrogallol；4,6-Dichlor-pyrogallol；4.6-Dichlor-1.2.3-trihydroxy-benzol；Dichloropyrogallol；4,6-dichlorobenzene-1,2,3-triol
• CAS: 87441-03-0
• 化学式: C₆H₄Cl₂O₃
• 分子量: 195.002
• InChiKey: SLTWBTVSKQNVHF-UHFFFAOYSA-N

物化性质

• 沸点：
  310.8±37.0 °C(Predicted)
• 密度：
  1.795±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 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：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,2,3-trihydroxy-4,6-dichlorobenzene 、 乙酸酐 在 吡啶 作用下， 生成 4,6-dichloropyrogallol triacetate
  参考文献：
  名称：

  Preparation of chlorosyringols and chloropyrogallols-components of pulp bleaching effluents

  摘要：

  The preparation and properties of chlorosyringols and chloropyrogallols, components of pulp bleaching effluents, and their acetates are given. The compounds are obtained mainly by direct chlorination of both phenols or of syringol acetate with various chlorinating reagents. 5-Chloropyrogallol and 4,5-dichloropyrogallol were the products of demethylation of 5-chloro-3-methoxycatechol acetate and 4,5-dichloro-3-methoxycatechol acetate, respectively. The acetates of all ten chloro compounds were separated by gas chromatography. Electron impact mass spectra and H-1 and C-13 NMR data for the acetates are given.

  DOI：

  10.1016/0045-6535(94)90009-4
• 作为产物：
  描述：

  邻苯三酚 在 磺酰氯 作用下， 以 乙醚 为溶剂， 反应 1.0h， 以1.30 g的产率得到1,2,3-trihydroxy-4,6-dichlorobenzene
  参考文献：
  名称：

  Preparation of chlorosyringols and chloropyrogallols-components of pulp bleaching effluents

  摘要：

  The preparation and properties of chlorosyringols and chloropyrogallols, components of pulp bleaching effluents, and their acetates are given. The compounds are obtained mainly by direct chlorination of both phenols or of syringol acetate with various chlorinating reagents. 5-Chloropyrogallol and 4,5-dichloropyrogallol were the products of demethylation of 5-chloro-3-methoxycatechol acetate and 4,5-dichloro-3-methoxycatechol acetate, respectively. The acetates of all ten chloro compounds were separated by gas chromatography. Electron impact mass spectra and H-1 and C-13 NMR data for the acetates are given.

  DOI：

  10.1016/0045-6535(94)90009-4

文献信息

• Halogenation of Pyrogallol Trimethyl Ether and Similar Systems^1a
  作者：DVORA FRIEDMAN、DAVID GINSBURG

  DOI：10.1021/jo01095a005

  日期：1958.1
• Peratoner, Gazzetta Chimica Italiana, 1898, vol. 28 I, p. 222
  作者：Peratoner

  DOI：——

  日期：——
• Preparation of chlorosyringols and chloropyrogallols-components of pulp bleaching effluents
  作者：Terrence J. Smith、Ross H. Wearne、Adrian F.A. Wallis

  DOI：10.1016/0045-6535(94)90009-4

  日期：1994.3

  The preparation and properties of chlorosyringols and chloropyrogallols, components of pulp bleaching effluents, and their acetates are given. The compounds are obtained mainly by direct chlorination of both phenols or of syringol acetate with various chlorinating reagents. 5-Chloropyrogallol and 4,5-dichloropyrogallol were the products of demethylation of 5-chloro-3-methoxycatechol acetate and 4,5-dichloro-3-methoxycatechol acetate, respectively. The acetates of all ten chloro compounds were separated by gas chromatography. Electron impact mass spectra and H-1 and C-13 NMR data for the acetates are given.