2-hydroxyethyl 3,5-dimethyl-4-hydroxybenzyl sulfide | 24797-54-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-hydroxyethyl 3,5-dimethyl-4-hydroxybenzyl sulfide
• 英文别名: 2,6-Dimethyl-4-(β-hydroxyethylthiomethyl)phenol
• CAS: 24797-54-4
• 化学式: C₁₁H₁₆O₂S
• 分子量: 212.313
• InChiKey: QDPYKOPXBJOGAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 重原子数：
  14.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  40.46
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 2,6-二甲基苯酚 、 2-巯基乙醇 在 氢氧化钾 作用下， 以 水 为溶剂， 反应 2.0h， 以81%的产率得到2-hydroxyethyl 3,5-dimethyl-4-hydroxybenzyl sulfide
  参考文献：
  名称：

  New promising antioxidants based on 2,6-dimethylphenol

  摘要：

  Three new sulfur-containing derivatives of 2,6-dimethylphenol were synthesized. Their antioxidative activity, mutagenicity, and genotoxicity were examined by bacterial tests and by calculating the dominant lethal mutations in murine embryonic cells. It was shown that all the compounds synthesized have a marked antioxidative effect and have no genotoxic and mutagenic properties. One of the antioxidants, 4-(3-dodecylthiopropyl)-2,6-dimethylphenol, increases the survival of cells of both the wild-type Escherichia coli strain and bacterial strains defective in the genes of repair enzymes and has a more distinct antioxidative effect than the classic antioxidants alpha-tocopherol and trolox, increasing the survival of cells devoid of repair enzymes.

  DOI：

  10.1134/s106816200804016x