2-secpentyl-6-isopropylphenol | 74926-98-0

• 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-secpentyl-6-isopropylphenol
• 英文别名: 2-Isopropyl-6-(1-methylbutyl)phenol；2-pentan-2-yl-6-propan-2-ylphenol
• CAS: 74926-98-0
• 化学式: C₁₄H₂₂O
• 分子量: 206.328
• InChiKey: LRZHPFKOOGPXPU-UHFFFAOYSA-N

物化性质

• 熔点：
  48.99°C (estimate)
• 沸点：
  281.58°C (estimate)
• 密度：
  0.9389 (estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 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：

  异丙苯酚 在 palladium 10% on activated carbon 氢气 、 三苯基膦 作用下， 以 甲醇 、 二氯甲烷 为溶剂， -10.0~290.0 ℃ 、490.34 kPa 条件下， 反应 73.0h， 生成 2-secpentyl-6-isopropylphenol
  参考文献：
  名称：

  [EN] ANALOGS OF PROPOFOL, PREPARATION THEREOF AND USE AS ANESTHETICS
  [FR] ANALOGUES DE PROPOFOL, LEUR PRÉPARATION ET LEUR UTILISATION COMME ANESTHÉSIQUES

  摘要：

  式（I）中X为H或F的化合物及其药学上可接受的盐可用作麻醉药。

  公开号：

  WO2009140275A1

文献信息

• 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.
• Analogs of Propofol, Preparation Thereof and Use as Anesthetics
  申请人：Jenkins Thomas E.

  公开号：US20120283335A1

  公开（公告）日：2012-11-08

  Compounds of formula (I) wherein X is H or F and pharmaceutically acceptable salts thereof are useful as anesthetics.
• [EN] ANALOGS OF PROPOFOL, PREPARATION THEREOF AND USE AS ANESTHETICS<br/>[FR] ANALOGUES DE PROPOFOL, LEUR PRÉPARATION ET LEUR UTILISATION COMME ANESTHÉSIQUES
  申请人：PHARMACOFORE INC

  公开号：WO2009140275A1

  公开（公告）日：2009-11-19

  Compounds of formula (I) wherein X is H or F and pharmaceutically acceptable salts thereof are useful as anesthetics.

  式（I）中X为H或F的化合物及其药学上可接受的盐可用作麻醉药。