2-tert-butyl-4-methyl-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol | 3101-62-0

• 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: 2-tert-butyl-4-methyl-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol
• 英文别名: 4-Methyl-2.6-di-isobornyl-phenol；2,6-Diisobornyl-4-methyl-phenol；4-Methyl-2.6-diisobornyl-phenol；2,6 Diisobornyl-p-cresol；2,6-Diisobornyl-4-methylphenol；4-methyl-2,6-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol
• CAS: 3101-62-0；10366-18-4
• 化学式: C₂₇H₄₀O
• 分子量: 380.614
• InChiKey: RQOGXGGBUXACEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  氯代叔丁烷 、 2-isobornyl-4-methylphenol 在 montmorillonite KSF 作用下， 反应 0.5h， 以74%的产率得到2-isobornyl-4-methyl-6-tert-butylphenol
  参考文献：
  名称：

  Synthesis of phenolic antioxidants with isobornyl and tert-butyl fragments

  摘要：

  Hybrid antioxidants, phenols with a terpene and tert-butyl substituents, were synthesized by the alkylation of 2-tert-butyl-4-methylphenol with camphene and 2-isobornylphenol with tert-butyl chloride in the presence of acidic heterogeneous catalysts, montmorillonite KSF and FIBAN K-1. Antioxidant activity of the synthesized terpenophenols was evaluated using spectrophotometry.

  DOI：

  10.1134/s1070363213060170

文献信息

• [EN] AGENT FOR TREATING CARDIOVASCULAR DISEASES<br/>[FR] AGENT DE TRAITEMENT DE MALADIES CARDIOVASCULAIRES<br/>[RU] СРЕДСТВО ДЛЯ ЛЕЧЕНИЯ СЕРДЕЧНО-СОСУДИСТЫХ ЗАБОЛЕВАНИЙ
  申请人：DIBORNOL DEV

  公开号：WO2015118488A1

  公开（公告）日：2015-08-13

  Изобретение относится к средству для лечения сердечно-сосудистых заболеваний, состоящего из смеси двух структурных изомеров 4-метил-2,6-диизоборнилфенол с соот- ношением изомеров от 60:40%масс. до 95:5%масс.
• Synthesis of phenolic antioxidants with isobornyl and tert-butyl fragments
  作者：I. V. Fedorova、I. Yu. Chukicheva、O. A. Shumova、A. V. Kutchin

  DOI：10.1134/s1070363213060170

  日期：2013.6

  Hybrid antioxidants, phenols with a terpene and tert-butyl substituents, were synthesized by the alkylation of 2-tert-butyl-4-methylphenol with camphene and 2-isobornylphenol with tert-butyl chloride in the presence of acidic heterogeneous catalysts, montmorillonite KSF and FIBAN K-1. Antioxidant activity of the synthesized terpenophenols was evaluated using spectrophotometry.