3-[2-(3,5-di-tert-butyl-4-hydroxyphenylsulfanyl)acetoxy]-2,2-bis-[2-(3,5-di-tert-butyl-4-hydroxy-phenylsulfanyl)acetoxymethyl]propyl 3,5-di-tert-butyl-4-hydroxyphenyl-sulfanylacetate | 1252636-68-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[2-(3,5-di-tert-butyl-4-hydroxyphenylsulfanyl)acetoxy]-2,2-bis-[2-(3,5-di-tert-butyl-4-hydroxy-phenylsulfanyl)acetoxymethyl]propyl 3,5-di-tert-butyl-4-hydroxyphenyl-sulfanylacetate
• 英文别名: 3-[2-(3,5-Di-t-butyl-4-hydroxyphenylsulfanyl)acetoxy]2,2-bis[2-(3,5-di-t-butyl-4-hydroxyphenylsulfanyl) acetoxymethyl]propyl 3,5-di-t-butyl-4-hydroxyphenylsulfanylacetate；[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylacetyl]oxy-2,2-bis[[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylacetyl]oxymethyl]propyl] 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylacetate
• CAS: 1252636-68-2
• 化学式: C₆₉H₁₀₀O₁₂S₄
• 分子量: 1249.81
• InChiKey: RRQZAFZNTPHUNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.8
• 重原子数：
  85
• 可旋转键数：
  32
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  287
• 氢给体数：
  4
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  pentaerythritol tetra(monochloroacetate) 、 2,6-二叔丁基-4-巯基苯酚 在 三乙胺 作用下， 以 丙酮 为溶剂， 反应 2.0h， 以85%的产率得到3-[2-(3,5-di-tert-butyl-4-hydroxyphenylsulfanyl)acetoxy]-2,2-bis-[2-(3,5-di-tert-butyl-4-hydroxy-phenylsulfanyl)acetoxymethyl]propyl 3,5-di-tert-butyl-4-hydroxyphenyl-sulfanylacetate
  参考文献：
  名称：

  Synthesis, structure and antioxidant activity of sulfur-containing tetrakisphenol

  摘要：

  3-[2-(3,5-Di-tert-butyl-4-hydroxyphenylsulfanyl)acetoxy]2,2-bis[2-(3,5-di-tert-butyl-4-hydroxy-phenylsulfanyl) acetoxymethyl]propyl 3,5-di-tert-butyl-4-hydroxyphenylsulfanylacetate was synthesized. Its structure was determined by means of (1)H and (13)C NMR spectroscopy and X-ray-diffraction analysis. This compound was found to possess high antioxidant activity in the conditions of auto-oxidation of low-pressure polyethylene.

  DOI：

  10.1134/s1070363210070200