4,6-二氯-3-甲氧基-1,2-苯二酚 | 155631-40-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4,6-二氯-3-甲氧基-1,2-苯二酚
• 英文名称: 4,6-dichloro-3-methoxycatechol
• 英文别名: 3,5-dichloro-6-methoxy-pyrocatechol；3,5-Dichlor-6-methoxy-brenzcatechin；4,6-Dichloro-3-methoxybenzene-1,2-diol
• CAS: 155631-40-6
• 化学式: C₇H₆Cl₂O₃
• 分子量: 209.029
• InChiKey: SACZNHZAHKVAQX-UHFFFAOYSA-N

物化性质

• 沸点：
  308.2±37.0 °C(Predicted)
• 密度：
  1.557±0.06 g/cm3(Predicted)

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：

  重氮甲烷 、 4,6-二氯-3-甲氧基-1,2-苯二酚 以 乙醚 为溶剂， 反应 0.25h， 生成 1,5-二氯-2,3,4-三甲氧基苯
  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
• 作为产物：
  描述：

  4,6-dichloro-3-methoxycatechol diacetate 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 1.0h， 生成 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

文献信息

• Preparation and properties of chloro-3-methoxycatechols-components of pulp bleaching effluents
  作者：Terrence J. Smith、Ross H. Wearne、Adrian F.A. Wallis

  DOI：10.1016/0045-6535(94)90008-6

  日期：1994.3

  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.