2-氯-4-羟基-3,5-二甲氧基苯甲酸 | 76341-70-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氯-4-羟基-3,5-二甲氧基苯甲酸
• 英文名称: 2-chlorosyringic acid
• 英文别名: Benzoic acid, 2-chloro-4-hydroxy-3,5-dimethoxy-；2-chloro-4-hydroxy-3,5-dimethoxybenzoic acid
• CAS: 76341-70-3
• 化学式: C₉H₉ClO₅
• 分子量: 232.62
• InChiKey: SZKVBSBSSNHHBQ-UHFFFAOYSA-N

物化性质

• 沸点：
  392.4±42.0 °C(Predicted)
• 密度：
  1.450±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  76
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  丁香酸 在 磺酰氯 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以480 mg的产率得到2-氯-4-羟基-3,5-二甲氧基苯甲酸
  参考文献：
  名称：

  Preparation and properties of chlorinated syringic acids, acetosyringones, acetoguaiacones and methoxy-p-hydroquinones — components of pulp bleaching effluents

  摘要：

  A range of chlorinated phenols which serve as standards for compounds occurring in effluents from the bleaching of wood pulps with chlorine-containing reagents has been prepared. The chlorinated phenols include chlorosyringic acids, chloroacetosyringones, chloroacetoguaiacones, 5-chloro-2-methoxy-p-hydroquinone and chloro-2,6-dimethoxy-p-hydroquinones. With the exception of the ring-chlorinated acetoguaiacones which were prepared by reaction of chlorovanillin acetates with diazomethane, the compounds were obtained by direct chlorination of appropriate phenols or their acetates. Gas chromatographic and mass spectrometric data for the acetylated phenols are given.

  DOI：

  10.1016/0045-6535(94)00377-7

文献信息

• Preparation and properties of chlorinated syringic acids, acetosyringones, acetoguaiacones and methoxy-p-hydroquinones — components of pulp bleaching effluents
  作者：Terrence J. Smith、Ross H. Wearne、Adrian F.A. Wallis

  DOI：10.1016/0045-6535(94)00377-7

  日期：1995.1

  A range of chlorinated phenols which serve as standards for compounds occurring in effluents from the bleaching of wood pulps with chlorine-containing reagents has been prepared. The chlorinated phenols include chlorosyringic acids, chloroacetosyringones, chloroacetoguaiacones, 5-chloro-2-methoxy-p-hydroquinone and chloro-2,6-dimethoxy-p-hydroquinones. With the exception of the ring-chlorinated acetoguaiacones which were prepared by reaction of chlorovanillin acetates with diazomethane, the compounds were obtained by direct chlorination of appropriate phenols or their acetates. Gas chromatographic and mass spectrometric data for the acetylated phenols are given.