4-(1-Hydroxypropan-2-yl)benzoic acid | 88416-61-9

• 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
• 英文名称: 4-(1-Hydroxypropan-2-yl)benzoic acid
• CAS: 88416-61-9
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.2
• InChiKey: BCXGOEMKNZQHEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• [EN] PROCESS FOR PREPARING EXTRA PURE 2, 6-DIISOPROPYL PHENOL<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION DE 2,6-DIISOPROPYLPHÉNOL EXTRA PUR
  申请人：HARMAN FINOCHEM LTD

  公开号：WO2011161687A1

  公开（公告）日：2011-12-29

  Disclosed herein is a process for the preparation of highly pure 2,6-diisopropyl phenol (Formula I), which comprises reacting p-hydroxy benzoic acid (Formula II) with an alkylating agent in presence of aq. mineral acid followed by basification and subsequent washings to yield 4-hydroxy-3,5-diisopropylbenzoic acid (Formula III) free of dimer impurity, 4, 4'-oxydibenzoic acid of Formula IV, ether impurity 3,5-di(propan-2-yl)-4- (propan-2-yloxy)benzoic acid of Formula V and the monoalkylated impurity 4-hydroxy- 3-(propan-2-yl) benzoic acid of Formula VI; and decarboxylating 4- hydroxy-3,5- diisopropylbenzoic acid (Formula III) in presence of high boiling solvent and sodium hydroxide as a catalyst at high temperature to yield 2, 6-diisopropyl phenol substantially free of ether impurity 1,3-di(propan-2-yl)-2-(propan-2-yloxy)benzene of Formula VII and monoalkylated phenol impurity 2-(propan-2-yl) phenol of Formula VIII. Propofol prepared by the process of the present invention is suitable for pharmaceutical use.

  本文公开了一种制备高纯度2,6-二异丙基苯酚（式I）的方法，包括在水矿酸存在下，用烷基化剂与对羟基苯甲酸（式II）反应，然后碱化并进行后续的洗涤，得到不含二聚体杂质、4-羟基-3,5-二异丙基苯甲酸（式III），其中不含乙醚杂质、4,4'-氧二苯甲酸（式IV），乙醚杂质3,5-二（异丙基）-4-（异丙氧基）苯甲酸（式V）和单烷基化杂质4-羟基-3-(异丙基)苯甲酸（式VI）；然后在高沸点溶剂和氢氧化钠催化剂的存在下，在高温下脱羧4-羟基-3,5-二异丙基苯甲酸（式III），得到基本不含乙醚杂质1,3-二（异丙基）-2-（异丙氧基）苯（式VII）和单烷基化苯酚杂质2-（异丙基）苯酚（式VIII）的2,6-二异丙基苯酚。使用本发明的方法制备的异丙酚适用于制药用途。
• PROCESS FOR PREPARING EXTRA PURE 2, 6-DIISOPROPYL PHENOL
  申请人：Jain Kirti Prakash

  公开号：US20130072573A1

  公开（公告）日：2013-03-21

  Disclosed herein is a process for the preparation of highly pure 2,6-diisopropyl phenol (Formula I), which comprises reacting p-hydroxy benzoic acid (Formula II) with an alkylating agent in presence of aq. mineral acid followed by basilication and subsequent washings to yield 4-hydroxy-3,5-diisopropylbenzoic acid (Formula III) free of dimer impurity, 4, 4′-oxy-dibenzoic acid of Formula IV, ether impurity 3,5-di(propan-2-yl)-4-(propan-2-yloxy)benzoic acid of Formula V and the monoalkylated impurity 4-hydroxy-3-(propan-2-yl) benzoic acid of Formula VI; and decarboxylating 4-hydroxy-3,5-diisopropylbenzoic acid (Formula III) in presence of high boiling solvent and sodium hydroxide as a catalyst at high temperature to yield 2,6-diisopropyl phenol substantially free of ether impurity 1,3-di(propan-2-yl)-2-(propan-2-yloxy)benzene of Formula VII and monoalkylated phenol impurity 2-(propan-2-yl) phenol of Formula VIII. Propofol prepared by the process of the present invention is suitable for pharmaceutical use.

  本文揭示了一种制备高纯度2,6-二异丙基酚（式I）的方法，包括在水矿酸存在下，用烷基化剂使对羟基苯甲酸（式II）反应，然后进行碱化和后续洗涤，以得到不含二聚体杂质、4-羟基-3,5-二异丙基苯甲酸（式III）、醚杂质3,5-二（异丙基）-4-（异丙氧基）苯甲酸（式V）和单烷基化杂质4-羟基-3-（异丙基）苯甲酸（式VI）；在高沸点溶剂和氢氧化钠催化剂存在下，在高温下脱羧4-羟基-3,5-二异丙基苯甲酸（式III），以得到基本不含醚杂质1,3-二（异丙基）-2-（异丙氧基）苯（式VII）和单烷基化酚杂质2-（异丙基）酚（式VIII）的2,6-二异丙基酚。由本发明方法制备的丙泊酚适用于制药用途。
• TRIAZOLYL DERIVATIVES AS SYK INHIBITORS
  申请人：MACHACEK Michelle R.

  公开号：US20150239866A1

  公开（公告）日：2015-08-27

  Provided are triazole derivatives of Formula I which are potent inhibitors of spleen tyrosine kinase and pharmaceutical composition. The triazole derivatives are useful in the treatment and prevention of diseases mediated by said enzyme, such as asthma, COPD, rheumatoid arthritis, and cancer.

  提供了公式I的三唑衍生物，它们是脾酪氨酸激酶的强效抑制剂和药物组合物。这些三唑衍生物可用于治疗和预防由该酶介导的疾病，如哮喘、COPD、类风湿性关节炎和癌症。
• HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP2595989B1

  公开（公告）日：2016-07-13
• MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF
  申请人：Constellation Pharmaceuticals, Inc.

  公开号：EP2780014A1

  公开（公告）日：2014-09-24