bis-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl] sulfide

• 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: bis-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl] sulfide
• 英文别名: bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl] sulfide；bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl)sulfide；4,4'-thiobispropyl[2,6-bis(tert-butyl)phenol]；di-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl]sulfide；thiophane；2,6-Ditert-butyl-4-[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]propyl]phenol
• 化学式: C₃₄H₅₄O₂S
• mdl: MFCD00559533
• 分子量: 526.868
• InChiKey: UPDBZUAXDRUZBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  65.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  bis-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl] sulfide 在 sodium 作用下， 以 甲醇 为溶剂， 反应 5.0h， 生成 2,6-di-tert-butyl-4-(3-hexylthiopropyl)phenol
  参考文献：
  名称：

  Mechanism of low-molecular alkenes interaction with sulfur-containing spatially hindered phenols under conditions of thermal modification of polymer materials

  摘要：

  Transformations in the course of high-temperature modification of polyolefins under action of sulfur-containing modifiers have been studied using hexene-1 and hexane as model compounds. Composition of products of thermolysis of bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl] disulfide and bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl] sulfide at 200-270A degrees C has been elucidated by means of thermogravimetry and gas chromatography-mass spectrometry. Mechanism of olefins modification with sulfides and disulfides involving the formation of biradical intermediates is discussed.

  DOI：

  10.1134/s1070363215030226
• 作为产物：
  描述：

  3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-chloropropane 在 sodium sulfide 作用下， 以 异丙醇 为溶剂， 以90%的产率得到bis-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl] sulfide
  参考文献：
  名称：

  摘要：

  The reaction of omega-(3,5-dialkyl-4-hydroxyphenyl)-1-chloroalkanes with sodium sulfide yielded the corresponding sulfides, which were tested as antioxidants in two model reactions: oxidation of lard and Vaseline oil.

  DOI：

  10.1023/a:1024650612317