4-[4-Hydroxy-3-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-2-(2,4,4-trimethylpentan-2-yl)phenol | 951403-93-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-[4-Hydroxy-3-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-2-(2,4,4-trimethylpentan-2-yl)phenol
• CAS: 951403-93-3
• 化学式: C₂₈H₄₂O₂S
• 分子量: 442.706
• InChiKey: MASFVZZEVCYAGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  65.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  辛基酚 在 二氯化硫 、 铁粉 作用下， 以 正己烷 为溶剂， 以67.9%的产率得到4-[4-Hydroxy-3-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-2-(2,4,4-trimethylpentan-2-yl)phenol
  参考文献：
  名称：

  某些正烷基，叔烷基，同源和异构脂质脂族烷基硫代双酚的合成及抗氧化作用

  摘要：

  AbstractTo study the relationship between structure and properties of members of the lipidic thiobis phenol series, as extreme pressure additives in lubricants, a series of homologous compounds has been synthesised by the reaction of alkylphenols with sulphur dichloride. The isomeric n‐nonylphenols have been reacted to form the C9 isomeric 2,2′‐and 4,4′‐thiobisphenols. Longer alkyl side‐chains resulted mainly in the formation of 4,4′‐thiobisphenols and some of the 2,2′ isomer. With short alkyl, particularly t‐alkyl side‐chains, steric hindrance resulted in the 2,2′‐compound. Additive studies have indicated that the longer chain 4,4′ compounds possessed antioxidant properties comparable and superior to former commercial branched chain 2,2′ compounds produced from petrochemical intermediates.

  DOI：

  10.1007/s11746-007-1060-6

文献信息

• Synthesis and Antioxidancy of Some n-Alkyl, t-Alkyl, Homologous and Isomeric Lipidic Alkylthiobisphenols
  作者：John H. P. Tyman、Robert A. Johnson

  DOI：10.1007/s11746-007-1060-6

  日期：2007.6.11

  AbstractTo study the relationship between structure and properties of members of the lipidic thiobis phenol series, as extreme pressure additives in lubricants, a series of homologous compounds has been synthesised by the reaction of alkylphenols with sulphur dichloride. The isomeric n‐nonylphenols have been reacted to form the C9 isomeric 2,2′‐and 4,4′‐thiobisphenols. Longer alkyl side‐chains resulted mainly in the formation of 4,4′‐thiobisphenols and some of the 2,2′ isomer. With short alkyl, particularly t‐alkyl side‐chains, steric hindrance resulted in the 2,2′‐compound. Additive studies have indicated that the longer chain 4,4′ compounds possessed antioxidant properties comparable and superior to former commercial branched chain 2,2′ compounds produced from petrochemical intermediates.