2,6-二异丙基-3,5-二甲苯酚 | 60834-77-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 2,6-二异丙基-3,5-二甲苯酚
• 英文名称: 2,6-diisopropyl-3,5-dimethylphenol
• 英文别名: Phenol, 2,6-diisopropyl-3,5-dimethyl-；3,5-dimethyl-2,6-di(propan-2-yl)phenol
• CAS: 60834-77-7
• 化学式: C₁₄H₂₂O
• 分子量: 206.328
• InChiKey: BSRNBFQSPKHHOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  15
• 可旋转键数：
  2
• 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

安全信息

• 海关编码：
  2907199090

反应信息

• 作为产物：
  描述：

  异丙醚 、 3,5-二甲基苯酚 在 zinc(II) chloride 作用下， 生成 2,6-二异丙基-3,5-二甲苯酚
  参考文献：
  名称：

  Alkylation of phenols

  摘要：

  公开号：

  US02291804A1

文献信息

• Eine einfache Synthese chiraler Arylbenzochinone und Arylbenzohydrochinone; Versucheines NMR.-Nachweises von Chiralität in isopropylsubstituierten Benzalanilinen
  作者：E. Schleusener、C. H. Eugster

  DOI：10.1002/hlca.19720550325

  日期：1972.4.20

  Atropisomeric diphenyls (V and VI) are easily prepared by the acid catalysed condensation of 2-methoxycarbonyl-1,4-benzoquinone and 2-acetyl-1,4-benzoquinone and trimethyl-1,4-benzoquinone respectively with 2-isopropyl-5-methylanisole and 2-isopropyl-3,5dimethylanisole. The reaction is not affected by steric hindrance; the more highly substituted phenols gave better yields. One of the diphenylderivatives

  阻转异构二苯（V和VI）很容易通过酸催化2-甲氧基羰基-1,4-苯醌和2-乙酰基-1,4-苯醌和三甲基-1,4-苯醌分别与2-异丙基-5缩合而制得。 -甲基茴香醚和2-异丙基-3,5-二甲基茴香醚。反应不受空间位阻的影响；取代度越高的酚，收率越高。借助于脱氢松香胺已解决了二苯基衍生物之一。外消旋过程的热力学数据已通过经典的极化技术确定（表4）。考虑到NMR光谱中非对映异构异丙基的信号，很容易检测到所制备的大多数化合物的手性。可能是由于NMR的溶剂相互作用。动力学未能提供有关消旋过程的信息。
• Stroh et al., Angewandte Chemie, 1957, vol. 69, p. 699,700
  作者：Stroh et al.

  DOI：——

  日期：——
• 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.
• SILICONE COMPOUNDS
  申请人：The Procter & Gamble Company

  公开号：EP3218425A1

  公开（公告）日：2017-09-20
• US4013473A
  申请人：——

  公开号：US4013473A

  公开（公告）日：1977-03-22