2,6-dichloro-5-hydroxyvanillin | 76330-07-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2,6-dichloro-5-hydroxyvanillin
• 英文别名: Benzaldehyde, 2,6-dichloro-3,4-dihydroxy-5-methoxy-；2,6-dichloro-3,4-dihydroxy-5-methoxybenzaldehyde
• CAS: 76330-07-9
• 化学式: C₈H₆Cl₂O₄
• 分子量: 237.039
• InChiKey: PAOSUHVQPOHTQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-碘香兰素 在 sodium hydroxide 、 磺酰氯 、 copper(II) sulfate 作用下， 以 水 、 溶剂黄146 、 甲苯 为溶剂， 反应 11.0h， 生成 2,6-dichloro-5-hydroxyvanillin
  参考文献：
  名称：

  Chemical degradation products of lignin and humic substances Part II Synthesis, structure verification and liquid chromatographic separation of chlorinated protocatechualdehydes (3,4-dihydroxy-benzaldehydes), 5-hydroxyvanillins (3,4-dihydroxy-5-methoxy-benzaldehydes) and gallaldehydes (3,4,5-trihydroxybenzaldehydes)

  摘要：

  All possible chloroprotocatechualdehydes, chlorogalladehydes, 5-bromoprotoratechualdehyde and chloro-5-hydroxyvanillins except 2-chloro-5-hydroxyvanillin) were synthesized. Their purity and structures were examined by liquid chromatography, mass spectrometry and other spectroscopic measurements. The details of the synthesis, liquid chromatographic separation and mass spectrometric features are discussed.

  DOI：

  10.1016/0045-6535(94)90423-5

文献信息

• Chemical degradation products of lignin and humic substances Part II Synthesis, structure verification and liquid chromatographic separation of chlorinated protocatechualdehydes (3,4-dihydroxy-benzaldehydes), 5-hydroxyvanillins (3,4-dihydroxy-5-methoxy-benzaldehydes) and gallaldehydes (3,4,5-trihydroxybenzaldehydes)
  作者：J. Hyötyläinen

  DOI：10.1016/0045-6535(94)90423-5

  日期：1994.5

  All possible chloroprotocatechualdehydes, chlorogalladehydes, 5-bromoprotoratechualdehyde and chloro-5-hydroxyvanillins except 2-chloro-5-hydroxyvanillin) were synthesized. Their purity and structures were examined by liquid chromatography, mass spectrometry and other spectroscopic measurements. The details of the synthesis, liquid chromatographic separation and mass spectrometric features are discussed.