1-(2-氯-4-羟基-5-甲氧基苯基)乙酮 | 69240-98-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2-氯-4-羟基-5-甲氧基苯基)乙酮
• 英文名称: 6-chloroacetoguaiacone
• 英文别名: 6-chloroacetovanillone；1-(2-chloro-4-hydroxy-5-methoxy-phenyl)-ethanone；1-(2-Chlor-4-hydroxy-5-methoxy-phenyl)-aethanon；Ethanone, 1-(2-chloro-4-hydroxy-5-methoxyphenyl)-；1-(2-chloro-4-hydroxy-5-methoxyphenyl)ethanone
• CAS: 69240-98-8
• 化学式: C₉H₉ClO₃
• 分子量: 200.622
• InChiKey: GETMWOHVBMTRAM-UHFFFAOYSA-N

物化性质

• 熔点：
  109–110°C
• 沸点：
  310.6±37.0 °C(Predicted)
• 密度：
  1.291±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-氯-4-羟基-5-甲氧基苯基)乙酮 、 二氧化硒 生成 2-(2-Chloro-4-hydroxy-5-methoxyphenyl)-2-oxoacetaldehyde
  参考文献：
  名称：

  EHCHI KOSHINAKA; SAKAE KURATA; KAGARI YAMAGISHI; SHINJI KUBO; HIDEO KATO, YAKUGAKU DZASSI, YAKUGAKU ZASSNI, J. PHARM. SOS. JAR., 1978, 98, NO 9, 11+

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯-4-羟基-5-甲氧基苯甲醛 在 sodium methylate 作用下， 以 吡啶 、 甲醇 、 乙醚 为溶剂， 反应 67.0h， 生成 1-(2-氯-4-羟基-5-甲氧基苯基)乙酮
  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

• Characterization of high molecular mass fractions of receiving waters and sediments of a pulp mill by CuO-oxidation and HPLC
  作者：J. Hyötyläinen、J. Knuutinen、E. Vilén

  DOI：10.1016/0045-6535(94)00448-4

  日期：1995.3

  High molecular mass fractions were separated by ultrafiltration from water samples collected at four sampling stations downstream and one upstream of a kraft pulp mill. These fractions and three sediment samples containing high molecular mass organic compounds were degraded by alkaline cupric oxide oxidation. Lignin and humic compounds in fractions were characterized analyzing their oxidation products by reversed phase HPLC and photodiode array detection.
• The Syntheses of 5- and 6-Chloroacetovanillone¹
  作者：Jack E. Jayne

  DOI：10.1021/ja01103a513

  日期：1953.4
• 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.
• EHCHI KOSHINAKA; SAKAE KURATA; KAGARI YAMAGISHI; SHINJI KUBO; HIDEO KATO, YAKUGAKU DZASSI, YAKUGAKU ZASSNI, J. PHARM. SOS. JAR., 1978, 98, NO 9, 11+
  作者：EHCHI KOSHINAKA、 SAKAE KURATA、 KAGARI YAMAGISHI、 SHINJI KUBO、 HIDEO KATO

  DOI：——

  日期：——