烯丙基邻-(正丙基)苯基醚 | 74663-57-3

• 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: 烯丙基邻-(正丙基)苯基醚
• 英文名称: allyl o-(n-propyl)phenyl ether
• 英文别名: allyl 2-n-propylphenyl ether；1-(allyloxy)-2-propylbenzene；1-Prop-2-enoxy-2-propylbenzene
• CAS: 74663-57-3
• 化学式: C₁₂H₁₆O
• 分子量: 176.258
• InChiKey: FLFCGVODGFMBEQ-UHFFFAOYSA-N

物化性质

• 沸点：
  45-46 °C(Press: 0.1 Torr)
• 密度：
  0.923±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  烯丙基邻-(正丙基)苯基醚 在 palladium on activated charcoal 、 氢气 、 N,N-二乙基苯胺 作用下， 以 甲醇 为溶剂， 反应 13.33h， 生成 2,6-二丙基苯酚
  参考文献：
  名称：

  GABAA受体变构增强化合物及其制备和用途

  摘要：

  本发明提供了一种GABA A 受体变构增强化合物及其制备和用途。所述化合物如式(1)所示，其中，R 1 和R 2 各自独立的选自异丙基或正丙基；且当R 1 为正丙基时，R 2 不为异丙基：

  公开号：

  CN110872213A
• 作为产物：
  描述：

  2-正丙基苯酚 、 3-溴丙烯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 8.0h， 以14.9 g的产率得到烯丙基邻-(正丙基)苯基醚
  参考文献：
  名称：

  GABAA受体变构增强化合物及其制备和用途

  摘要：

  本发明提供了一种GABA A 受体变构增强化合物及其制备和用途。所述化合物如式(1)所示，其中，R 1 和R 2 各自独立的选自异丙基或正丙基；且当R 1 为正丙基时，R 2 不为异丙基：

  公开号：

  CN110872213A

文献信息

• GABA A RECEPTOR ALLOSTERIC ENHANCER COMPOUND AND PREPARATION AND USE THEREOF
  申请人：Xi'an Libang Zhaoxin Biotechnology Co., Ltd.

  公开号：EP3845517A1

  公开（公告）日：2021-07-07

  The present disclosure provides an allosteric enhancing compound of GABAA receptors or a prodrug thereof, a method for preparing the same, and use thereof. The compound is represented by formula (1), wherein R1 and R2 are each independently selected from isopropyl or n-propyl; and when R1 is n-propyl, R2 is not isopropyl.

  本公开提供了一种 GABAA 受体的异构增强化合物或其原药、制备方法及其用途。该化合物由式（1）表示，其中 R1 和 R2 各自独立地选自异丙基或正丙基；当 R1 为正丙基时，R2 不是异丙基。
• [EN] GABA A RECEPTOR ALLOSTERIC ENHANCER COMPOUND AND PREPARATION AND USE THEREOF<br/>[FR] COMPOSÉ ACTIVATEUR ALLOSTÉRIQUE DU RÉCEPTEUR GABA A, PRÉPARATION ET UTILISATION ASSOCIÉES<br/>[ZH] GABA A受体变构增强化合物及其制备和用途
  申请人：XIAN LIBANG ZHAOXIN BIOTECHNOLOGY CO LTD

  公开号：WO2020042766A1

  公开（公告）日：2020-03-05

  一种GABA A受体变构增强化合物及其制备和用途被公开，该化合物结构如式(1)所示：，其中，R 1和R 2各自独立的选自异丙基或正丙基；且当R 1为正丙基时，R 2不为异丙基。
• 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.
• 2,4-Diamino-5-benzylpyrimidines as antibacterial agents. 13. Some alkenyl derivatives with high in vitro activity against anaerobic organisms
  作者：Barbara Roth、Mary Y. Tidwell、Robert Ferone、David P. Baccanari、Carl W. Sigel、Diane DeAngelis、Lynn P. Elwell

  DOI：10.1021/jm00128a043

  日期：1989.8

  A series of 2,4-diamino-5-(3,5-dialkenyl-4-methoxy- or -4-hydroxybenzyl)pyrimidines was prepared from [(allyloxy)benzyl]pyrimidines by Claisen rearrangements, and the resulting allyl phenols were further modified by methylation and rearrangement to 1-propenyl analogues. Analogous 3,4-dimethoxy-5-alkenyl derivatives were prepared by similar techniques. High in vitro antibacterial activity was obtained against certain anaerobic organisms, such as Bacteroides species and Fusobacterium, which was equal to or better than the control, metronidazole, in several cases. The profile was similar against Neisseria gonorrhoeae and Staphylococcus aureus. The 3,5-bis(1-propenyl)-4-methoxy derivative 8 was 1 order of magnitude more active against Escherichia coli dihydrofolate reductase than its saturated counterpart, and it was also more active than trimethoprim, 1. However, it was considerably less active in vitro against the Gram-negative organisms. The 3,4-dimethoxy-5-alkenyl, -5-alkyl, and -5-alkoxy analogues had very high broad-spectrum antibacterial activity. However, pharmacokinetic studies of four of the compounds in dogs and rats and in vivo studies with an abdominal sepsis model in rats showed no advantages over trimethoprim.
• Alumina-catalyzed reactions of hydroxyarenes and hydroaromatic ketones. 9. Reaction of phenol with 1-propanol
  作者：LeRoy H. Klemm、Dennis R. Taylor

  DOI：10.1021/jo01310a012

  日期：1980.10