2-ethyl-6-isopropyl-phenol | 52997-11-2

• 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-ethyl-6-isopropyl-phenol
• 英文别名: 2-Aethyl-6-isopropyl-phenol；2-ethyl-6-isopropylphenol；2-ethyl-6-propan-2-ylphenol
• CAS: 52997-11-2
• 化学式: C₁₁H₁₆O
• 分子量: 164.247
• InChiKey: OTLDNWAMLMBKHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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-ethyl-6-isopropyl-phenol 生成 1,1'-diethyl-5,5'-diisopropyl-[3,3']bicyclohexa-1,4-dienylidene-6,6'-dione
  参考文献：
  名称：

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

  摘要：

  DOI：
• 作为产物：
  描述：

  2-isopropyl-6-vinylphenol 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 、 氯苯 为溶剂， 反应 5.0h， 生成 2-ethyl-6-isopropyl-phenol
  参考文献：
  名称：

  Spiro derivatives as lipoxygenase inhibitors

  摘要：

  本发明涉及某些新颖的螺环取代杂环环衍生物。这些化合物可能在制造用于治疗通过脂氧合酶介导的疾病的药物组合物方面有用。它们也可能在制造用于治疗脂氧合酶介导的疾病的药物配方方面有用。

  公开号：

  US20060128790A1

文献信息

• [EN] DI-MACROCYCLES<br/>[FR] DI-MACROCYCLES
  申请人：LUMIPHORE INC

  公开号：WO2014078690A1

  公开（公告）日：2014-05-22

  The invention relates to chemical compounds and complexes that can be used in therapeutic and diagnostic applications.

  这项发明涉及可用于治疗和诊断应用的化合物和复合物。
• Process for producing 3,3,5-trimethylcyclohexylidenebisphenols
  申请人：Honshu Chemical Industry Co. Ltd.

  公开号：EP0995737A1

  公开（公告）日：2000-04-26

  A process for producing a 3,3,5-trimethylcyclohexylidenebisphenol of formula (11): wherein R1 and R2 can be the same or different and represent hydrogen or C1-C4 alkyl, each R1 substituent being the same or different and each R2 substituent being the same or different, provided that the R1 and R2 substituents on a given phenyl moiety are not simultaneously C4 alkyl, which process comprises: (a) reacting a phenol (A) of formula (I) wherein R1 and R2 are as defined above, with 3,3,5-trimethylcyclohexanone (B) at a molar ratio ((A)/(B)) of from 3 to 7 in the presence of an acid catalyst until the 3,3,5-trimethylcyclohexanone (B) exhibits at least 90 mol% conversion; and (b) adding a phenol (A) of formula (I) wherein R1 and R2 are as defined above and/or an aromatic hydrocarbon (C) to the thus obtained reaction mixture.

  一种生产式（11）的 3,3,5-三甲基环己亚基双酚的工艺： 其中 R1 和 R2 可以相同或不同，代表氢或 C1-C4 烷基，每个 R1 取代基可以相同或不同，每个 R2 取代基可以相同或不同，条件是给定苯基上的 R1 和 R2 取代基不能同时为 C4 烷基、 该工艺包括 (a) 使式（I）的苯酚（A）反应 其中 R1 和 R2 如上定义，与 3，3，5-三甲基环己酮 (B) 在酸催化剂存在下以 3 至 7 的摩尔比（(A)/(B)）反应，直到 3，3，5-三甲基环己酮 (B) 显示出至少 90 摩尔%的转化率；以及 (b) 将式 (I) 苯酚 (A) （其中 R1 和 R2 如上文所定义）和/或芳香烃 (C) 加入由此获得的反应混合物中。
• Propofol analogs, process for their preparation, and methods of use
  申请人：Abraxis BioScience, LLC

  公开号：EP2520290A1

  公开（公告）日：2012-11-07

  The invention provides para substituted dialkylphenol derivatives of propofol. The invention further provides pharmaceutical compositions comprising such analogs, methods for preparing such analogs, and methods of using such analogs to induce general anesthesia, sedation, and/or hypnotic or sleep effects in a patient.

  本发明提供了异丙酚的对位取代二烷基酚衍生物。本发明进一步提供了包含此类类似物的药物组合物、制备此类类似物的方法以及使用此类类似物诱导患者全身麻醉、镇静和/或催眠或睡眠效果的方法。
• Macrocycles
  申请人：LUMIPHORE, INC.

  公开号：US10273256B2

  公开（公告）日：2019-04-30

  The invention relates to chemical compounds and complexes that can be used in therapeutic and diagnostic applications.

  本发明涉及可用于治疗和诊断的化合物和复合物。
• 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.