2,4-二甲基-6-羟基苯甲酸 | 6370-32-7

• 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: 2,4-二甲基-6-羟基苯甲酸
• 中文别名: 2-羟基-4,6-二甲基苯甲酸
• 英文名称: 2-hydroxy-4,6-dimethylbenzoic acid
• 英文别名: 4,6-dimethylsalicylic acid；2-hydroxy-4,6-dimethyl-benzoic acid；2-Hydroxy-4,6-dimethyl-benzoesaeure；6-Oxy-2.4-dimethyl-benzol-carbonsaeure-(1)；4.6-Dimethyl-salicylsaeure；6-Hydroxy-2,4-dimethyl-benzoesaeure
• CAS: 6370-32-7
• 化学式: C₉H₁₀O₃
• 分子量: 166.177
• InChiKey: OQDPLEDHXOOBPW-UHFFFAOYSA-N

物化性质

• 熔点：
  166 °C
• 沸点：
  323.7±30.0 °C(Predicted)
• 密度：
  1.249±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  2,4-二甲基-6-羟基苯甲酸 、 硫酸二甲酯 生成 2-methoxy-4,6-dimethyl-benzoic acid methyl ester
  参考文献：
  名称：

  v. Auwers; Saurwein, Chemische Berichte, 1922, vol. 55, p. 2384

  摘要：

  DOI：
• 作为产物：
  描述：

  (2-hydroxy-4,6-dimethyl-phenyl)-glyoxylic acid 在 双氧水 作用下， 生成 2,4-二甲基-6-羟基苯甲酸
  参考文献：
  名称：

  Stolle; Knebel, Chemische Berichte, 1921, vol. 54, p. 1217

  摘要：

  DOI：

文献信息

• Carboxylation of Phenols with CO₂at Atmospheric Pressure
  作者：Junfei Luo、Sara Preciado、Pan Xie、Igor Larrosa

  DOI：10.1002/chem.201601114

  日期：2016.5.10

  A convenient and efficient method for the ortho‐carboxylation of phenols under atmospheric CO2 pressure has been developed. This method provides an alternative to the previously reported Kolbe–Schmitt method, which requires very high pressures of CO2. The addition of a trisubstituted phenol has proved essential for the successful carboxylation of phenols with CO2 at standard atmospheric pressure, allowing

  已经开发了一种在大气CO 2压力下使酚进行邻羧基羧化的便捷有效方法。该方法提供了以前报道的Kolbe-Schmitt方法的替代方法，后者需要非常高的CO 2压力。已证明添加三取代的苯酚对于在标准大气压下成功地将苯酚与CO 2羧化至关重要，从而可以有效制备各种水杨酸。
• Palladium-catalyzed ortho-C-H hydroxylation of benzoic acids
  作者：Feihua Luo、Shuhua He、Quan Gou、Jinyang Chen、mingzhong Zhang

  DOI：10.1016/j.tetlet.2021.153434

  日期：2021.11

  A simple Pd(OAc)2 catalyzed ortho-hydroxylation of benzoic acids using TBHP as the sole oxidant has been explored. This protocol features relatively broad substrate scope and operational simplicity. The compatibility of ortho-substituted substrates is an effective complement to the previous ortho-hydroxylation reaction.

  已经探索了使用 TBHP 作为唯一氧化剂的简单 Pd(OAc) 2催化苯甲酸邻羟基化反应。该协议具有相对广泛的基板范围和操作简单性。邻位取代底物的相容性是对先前邻位羟基化反应的有效补充。
• Macrocyclic compounds useful as inhibitors of kinases and HSP90
  申请人：Winssinger Nicolas

  公开号：US20080146545A1

  公开（公告）日：2008-06-19

  Disclosed are macrocyclic compounds of formulae I-V, which are analogs of the pochonin resorcylic acid lactones, and processes for the preparation of the compounds. The compounds disclosed are useful as inhibitors of kinases and Heat Shock Protein 90 (HSP 90). Also disclosed are pharmaceutical compositions comprising an effective kinase-inhibiting amount or an effective HSP90-inhibiting amount of the compounds and methods for the treatment of disorders that are mediated by kinases and HSP90.

  本发明公开了式I-V的大环化合物，它们是pochonin邻苯二酚内酯的类似物，并公开了制备这些化合物的方法。所公开的化合物可用作激酶和热休克蛋白90（HSP 90）的抑制剂。还公开了包含有效的激酶抑制剂量或有效的HSP90抑制剂量的药物组合物以及治疗由激酶和HSP90介导的疾病的方法。
• MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90
  申请人：WINSSINGER Nicolas

  公开号：US20120077775A1

  公开（公告）日：2012-03-29

  Disclosed are macrocyclic compounds of formulae I-V, which are analogs of the pochonin resorcylic acid lactones, and processes for the preparation of the compounds. The compounds disclosed are useful as inhibitors of kinases and Heat Shock Protein 90 (HSP 90). Also disclosed are pharmaceutical compositions comprising an effective kinase-inhibiting amount or an effective HSP90-inhibiting amount of the compounds and methods for the treatment of disorders that are mediated by kinases and HSP90.

  本发明公开了式I-V的大环化合物，它们是pochonin酚羧酸内酯的类似物，并公开了制备这些化合物的方法。所公开的化合物可用作激酶和热休克蛋白90（HSP90）的抑制剂。还公开了含有有效的激酶抑制剂量或有效的HSP90抑制剂量的药物组合物以及治疗由激酶和HSP90介导的疾病的方法。
• Tetracycline Compounds
  申请人：Chen Chi-Li

  公开号：US20120135968A1

  公开（公告）日：2012-05-31

  The present invention is directed to a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. The variables for Structural Formula I are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula I and its therapeutic use.

  本发明涉及一种由结构式(I)表示的化合物或其药学上可接受的盐。结构式I的变量在此定义。同时还描述了包含结构式I化合物的药物组合物及其治疗用途。