2,6-二乙基-3,5-二甲基苯酚 | 69051-28-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2,6-二乙基-3,5-二甲基苯酚
• 英文名称: 2,6-diethyl-3,5-dimethylphenol
• 英文别名: 2,6-diethyl-3,5-dimethyl-phenol；2,6-Diaethyl-3,5-dimethyl-phenol；5-Hydroxy-1.3-dimethyl-4.6-diaethyl-benzol
• CAS: 69051-28-1
• 化学式: C₁₂H₁₈O
• 分子量: 178.274
• InChiKey: FKHCUBYZJXPEPX-UHFFFAOYSA-N

物化性质

• 熔点：
  88 °C(Solv: ligroine (8032-32-4))
• 沸点：
  163 °C(Press: 50 Torr)
• 密度：
  0.958±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,6-二乙基-3,5-二甲基苯酚 、 硫酸二甲酯 生成 2,6-diethyl-3,5-dimethyl-anisole
  参考文献：
  名称：

  v. Auwers; Borsche, Chemische Berichte, 1915, vol. 48, p. 1713

  摘要：

  DOI：
• 作为产物：
  描述：

  3,5-二甲基苯酚 在 Al(3,5-Me2C6H3O)3 、 乙烯 作用下， 生成 2,6-二乙基-3,5-二甲基苯酚
  参考文献：
  名称：

  Stroh et al., Angewandte Chemie, 1957, vol. 69, p. 699,700

  摘要：

  DOI：

文献信息

• Mannich base derivatives, and the production and uses thereof
  申请人：ETHYL CORPORATION

  公开号：EP0733695A1

  公开（公告）日：1996-09-25

  Compounds in which a phenolic moiety is linked to a polyamine moiety by means of a Mannich base linkage, and the polyamine moiety is linked to an alkylene-poly(oxyalkylene) moiety by means of a urea linkage in which one of the nitrogen atoms of the urea linkage is a nitrogen atom of the polyamine, are useful as detergent/dispersants in fuels and other media.

  酚分子通过曼尼希碱连接方式与多胺分子连接，多胺分子通过脲连接方式与亚烷基-聚（氧烷基）分子连接，其中脲连接的氮原子之一是多胺的氮原子的化合物可用作燃料和其他介质中的清净剂/分散剂。
• Phenyl Isocyanate Derivatives of Certain Alkylated Phenols. Melting Points and X-Ray Powder Diffraction Data
  作者：J B. McKinley、J E. Nickels、S S. Sidhu

  DOI：10.1021/i560129a007

  日期：1944.5.19
• 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.
• US4105681A
  申请人：——

  公开号：US4105681A

  公开（公告）日：1978-08-08
• US4203925A
  申请人：——

  公开号：US4203925A

  公开（公告）日：1980-05-20