2-丁烷-2-基-6-丙基苯酚 | 74926-93-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-丁烷-2-基-6-丙基苯酚
• 中文别名: 嘧啶,4,6-二(二氟甲氧基)-2-甲基-(9CI)
• 英文名称: 2-sec-butyl-6-propylphenol
• 英文别名: 2-butan-2-yl-6-propylphenol
• CAS: 74926-93-5
• 化学式: C₁₃H₂₀O
• 分子量: 192.301
• InChiKey: DASIOEIBURQFMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险等级：
  9
• 海关编码：
  2907199090
• 包装等级：
  III
• 危险类别：
  9
• 危险品运输编号：
  UN 3077

反应信息

• 作为产物：
  描述：

  2-仲丁基苯酚 在 palladium on activated charcoal sodium hydroxide 、 氢气 、 苄基三丁基溴化铵 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 25.0~250.0 ℃ 、101.33 kPa 条件下， 反应 3.75h， 生成 2-丁烷-2-基-6-丙基苯酚
  参考文献：
  名称：

  Synthesis, biological evaluation, and preliminary structure-activity considerations of a series of alkylphenols as intravenous anesthetic agents

  摘要：

  Following our discovery of the intravenous (iv) anesthetic activity of 2,6-diethylphenol in mice, a series of alkylphenols was examined in this species and the most active analogues were further evaluated in rabbits. The synthesis of compounds which were not commercially available was accomplished by adaptations of standard ortho-alkylation procedures for phenols. Structure-activity relationships were found to be complex, but, in general, potency and kinetics appeared to be a function of both the lipophilic character and the degree of steric hindrance exerted by ortho substituents. The most interesting compounds were found in the 2,6-dialkyl series, and the greatest potency was associated with 2,6-di-sec-alkyl substitution. In particular, 2,6-diisopropylphenol (ICI 35 868) emerged as a candidate for further development and has subsequently been shown to be an effective iv anesthetic agent in man.

  DOI：

  10.1021/jm00186a013

文献信息

• [EN] COMPOSITIONS AND METHODS OF TREATING CHRONIC PAIN BY ADMINISTERING PROPOFOL DERIVATIVES<br/>[FR] COMPOSITIONS ET PROCÉDÉS DE TRAITEMENT D'UNE DOULEUR CHRONIQUE PAR L'ADMINISTRATION DE DÉRIVÉS DE PROPOFOL
  申请人：UNIV COLUMBIA

  公开号：WO2011019747A1

  公开（公告）日：2011-02-17

  Compositions and methods for managing or treating chronic pain are provided. More particularly, methods are provided for managing or treating chronic pain by administering to a patient in need thereof an effective amount of propofol or a propofol derivative having limited anesthetic properties. Methods of modulating HCN channel gating are also provided. Pharmaceutically acceptable compositions for, e.g., modulating HCN channel gating are further provided.
• Synthesis, biological evaluation, and preliminary structure-activity considerations of a series of alkylphenols as intravenous anesthetic agents
  作者：Roger James、John B. Glen

  DOI：10.1021/jm00186a013

  日期：1980.12

  Following our discovery of the intravenous (iv) anesthetic activity of 2,6-diethylphenol in mice, a series of alkylphenols was examined in this species and the most active analogues were further evaluated in rabbits. The synthesis of compounds which were not commercially available was accomplished by adaptations of standard ortho-alkylation procedures for phenols. Structure-activity relationships were found to be complex, but, in general, potency and kinetics appeared to be a function of both the lipophilic character and the degree of steric hindrance exerted by ortho substituents. The most interesting compounds were found in the 2,6-dialkyl series, and the greatest potency was associated with 2,6-di-sec-alkyl substitution. In particular, 2,6-diisopropylphenol (ICI 35 868) emerged as a candidate for further development and has subsequently been shown to be an effective iv anesthetic agent in man.