4,5-二氯-3-甲氧基-1,2-苯二酚 | 155593-19-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4,5-二氯-3-甲氧基-1,2-苯二酚
• 英文名称: 4,5-dichloro-3-methoxycatechol
• 英文别名: 4,5-Dichloro-3-methoxybenzene-1,2-diol
• CAS: 155593-19-4
• 化学式: C₇H₆Cl₂O₃
• 分子量: 209.029
• InChiKey: FEEKHUNFIHHUKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,5-二氯-3-甲氧基-1,2-苯二酚 在 吡啶 、 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 114.0h， 生成 4,5-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：

  3-甲氧基儿茶酚 在 磺酰氯 作用下， 以 氯仿 为溶剂， 反应 1.0h， 以350 mg的产率得到4,6-二氯-3-甲氧基-1,2-苯二酚
  参考文献：
  名称：

  Preparation and properties of chloro-3-methoxycatechols-components of pulp bleaching effluents

  摘要：

  The preparation and properties are given for the seven chlorinated 3-methoxycatechols, several of which have been reported as components of pulp bleaching effluents. The 4- and 6-substituted compounds and the trichloro-3-methoxycatechol were obtained by direct chlorination of the parent catechol or its diacetate. The 5-substituted compound was prepared by the known addition of hydrochloric acid to 3-methoxy-ortho-benzoquinone, and further chlorination gave the 4,5- and 5,6-dichloro isomers. The diacetates of all seven compounds were separated by gas chromatography. Electron impact mass spectra and H-1 and C-13 NMR data for the diacetates are given.

  DOI：

  10.1016/0045-6535(94)90008-6