2-甲基-6-异丙基苯酚 | 3228-04-4

• 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: 2-甲基-6-异丙基苯酚
• 中文别名: 2-甲基-6-丙烷-2-苯酚
• 英文名称: 2-methyl-6-isopropyl phenol
• 英文别名: 2-isopropyl-6-methylphenol；thymol；2-methyl-6-propan-2-ylphenol
• CAS: 3228-04-4
• 化学式: C₁₀H₁₄O
• 分子量: 150.221
• InChiKey: KFETUQFRWIVAMU-UHFFFAOYSA-N

物化性质

• 熔点：
  -14.5°C
• 沸点：
  225.5°C
• 密度：
  0.9782

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险等级：
  8
• 海关编码：
  2907199090

反应信息

• 作为反应物：
  描述：

  2-甲基-6-异丙基苯酚 在 salcomine 氧气 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以72%的产率得到2-异丙基-6-甲基-1,4-苯醌
  参考文献：
  名称：

  Synthesis of a Novel Class of Water-Soluble and Bioavailable Antioxidants: 5-Hydroxycoumaran Derivatives Possessing Imidazole Group

  摘要：

  2-isopropyl-6-methylphenol 以高区域选择性合成了具有咪唑基团的 5-hydroxycoumaran 衍生物 1。化合物 1 是一种水溶性抗氧化剂，具有很强的生物利用度，对 TXA2 合酶有抑制作用。

  DOI：

  10.1055/s-1997-6147
• 作为产物：
  描述：

  异丙苯酚 在 W₂ Raney nickel N-氯代丁二酰亚胺 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 28.5h， 生成 2-甲基-6-异丙基苯酚
  参考文献：
  名称：

  Synthesis, biological evaluation, and preliminary structure-activity considerations of a series of alkylphenols as intravenous anesthetic agents

  摘要：

  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.

  DOI：

  10.1021/jm00186a013

文献信息

• Magnetically recyclable silica-coated ferrite magnetite-K₁₀ montmorillonite nanocatalyst and its applications in O, N, and S-acylation reaction under solvent-free conditions
  作者：Nitin Tandon、Shripad M. Patil、Runjhun Tandon、Pushpendra Kumar

  DOI：10.1039/d1ra02222a

  日期：——

  Novel silica-coated ferrite nanoparticles supported with montmorillonite (K₁₀) have been prepared and explored for their catalytic activity for the O, N, and S-acylation reactions under solvent-free conditions.

  用蒙脱石（K₁₀）支撑的新型二氧化硅包覆铁氧体纳米颗粒已经制备并在无溶剂条件下探索其在氧、氮和硫酰化反应中的催化活性。
• [EN] NOVEL ANTIMICROBIAL PEPTIDES AND THEIR APPLICATION<br/>[FR] NOUVEAUX PEPTIDES ANTIMICROBIENS ET LEUR APPLICATION
  申请人：INFINITEC ACTIVOS S L

  公开号：WO2015135896A1

  公开（公告）日：2015-09-17

  The present invention relates to a compound of formula (I) and to compositions comprising said compound, as well as the use of said compound and/or said compositions to prevent fungal and/or bacterial growth.

  本发明涉及式(I)的化合物，以及包含该化合物的组合物，以及使用该化合物和/或所述组合物来防止真菌和/或细菌生长。
• [EN] BENZOXAZINES AS MODULATORS OF ION CHANNELS<br/>[FR] BENZOXAZINES COMME MODULATEURS DES CANAUX IONIQUES
  申请人：VERTEX PHARMA

  公开号：WO2013067248A1

  公开（公告）日：2013-05-10

  The invention relates to benzoxazines useful as inhibitors of ion channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及可用作离子通道抑制剂的苯并噁嗪。本发明还提供了包含本发明化合物的药用可接受组合物，以及使用这些组合物治疗各种疾病的方法。
• [EN] PREPARATION OF SUBSTITUTED 3-ARYL-5-TRIFLUOROMETHYL-1,2,4-OXADIAZOLES<br/>[FR] PRÉPARATION DE 3-ARYL-5-TRIFLUOROMÉTHYL-1,2,4-OXADIAZOLES SUBSTITUÉS
  申请人：BASF SE

  公开号：WO2019020501A1

  公开（公告）日：2019-01-31

  The present invention relates to a process for the preparation of 3-aryl-5-trifluoromethyl-1,2,4- oxadiazoles, which are useful as fungicidal compounds or as intermediates for the synthesis of fungicidal oxaciazole compounds, using trifluoroacetyl halides.

  本发明涉及一种制备3-芳基-5-三氟甲基-1,2,4-恶二唑的方法，这些恶二唑作为杀真菌化合物或作为合成杀真菌恶二唑化合物的中间体是有用的，使用三氟乙酰卤化物。
• Novel Phosphinic Acid-Containing Thyromimetics
  申请人：Erion Mark D.

  公开号：US20090028925A1

  公开（公告）日：2009-01-29

  The present invention relates to compounds of phosphonic acid-containing T3 mimetics and monoesters thereof, stereoisomers, pharmaceutically acceptable salts, co-crystals, and prodrugs thereof and pharmaceutically acceptable salts and co-crystals of the prodrugs, as well as their preparation and uses for preventing and/or treating metabolic diseases such as obesity, NASH, hypercholesterolemia and hyperlipidemia, as well as associated conditions such as atherosclerosis, coronary heart disease, impaired glucose tolerance, metabolic syndrome x and diabetes.

  本发明涉及含有磷酸基T3拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟