2-bromo-4,5-dimethyl-benzoic acid | 4612-57-1

• 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-bromo-4,5-dimethyl-benzoic acid
• 英文别名: 2-Brom-4,5-dimethyl-benzoesaeure；2-Bromo-4,5-dimethylbenzoic acid
• CAS: 4612-57-1
• 化学式: C₉H₉BrO₂
• 分子量: 229.073
• InChiKey: FDLQHHDRBHFOFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 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：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-bromo-4,5-dimethyl-benzoic acid 在 铜 、 potassium carbonate 、 三氯氧磷 、 正丁醇 作用下， 生成 6,7-dimethyl-9-oxo-9,10-dihydro-acridine-2-carboxylic acid
  参考文献：
  名称：

  Stapleton; White, Journal of the American Pharmaceutical Association (1912), 1954, vol. 43, p. 193,199

  摘要：

  DOI：
• 作为产物：
  描述：

  2-溴-4,5-二甲基苯胺 生成 2-bromo-4,5-dimethyl-benzoic acid
  参考文献：
  名称：

  SQUAMOUS CELL CARCINOMA OF THE URACHUS

  摘要：

  DOI：

  10.1016/s0022-5347(05)67834-2

文献信息

• PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP3939577A1

  公开（公告）日：2022-01-19

  The invention relates to a pharmaceutical composition according to the claim 1 comprising a glucopyranosyl-substituted benzene derivative in combination with a DPP IV inhibitor which is suitable in the treatment or prevention of one or more conditions selected from type 1 diabetes mellitus, type 2 diabetes mellitus, impaired glucose tolerance and hyperglycemia. In addition the present invention relates to methods for preventing or treating of metabolic disorders and related conditions.

  该发明涉及根据权利要求1的药物组合物，包括一种葡萄糖吡喃基取代苯衍生物与一种适用于治疗或预防从以下选定的一种或多种疾病的DPP IV抑制剂的组合物，所述疾病包括1型糖尿病、2型糖尿病、糖耐量受损和高血糖。此外，本发明涉及预防或治疗代谢紊乱及相关疾病的方法。
• METHOD FOR PRODUCING 2-HALOGENATED BENZOIC ACIDS
  申请人：SUMITOMO SEIKA CHEMICALS CO., LTD.

  公开号：US20180086687A1

  公开（公告）日：2018-03-29

  The purpose of the present invention is to provide a method for producing 2-halogenated benzoic acids, the method imparting high regioselectivity (high selectivity) and having a shorter reaction time than does the conventional reaction. This method for producing 2-halogenated benzoic acids, in order to achieve the above purpose, is characterized in that benzoic acids and a halogenating agent are reacted in the presence of an alkaline compound, making it possible to highly selectively obtain 2-halogenated benzoic acids.

  本发明的目的是提供一种生产2-卤代苯甲酸的方法，该方法具有高区域选择性（高选择性），且反应时间比传统方法更短。为了实现上述目的，这种生产2-卤代苯甲酸的方法的特点在于在碱性化合物存在下，将苯甲酸和卤代试剂反应，从而能够高度选择性地获得2-卤代苯甲酸。
• Method for producing 2-halogenated benzoic acids
  申请人：SUMITOMO SEIKA CHEMICALS CO., LTD.

  公开号：US10364206B2

  公开（公告）日：2019-07-30

  The purpose of the present invention is to provide a method for producing 2-halogenated benzoic acids, the method imparting high regioselectivity (high selectivity) and having a shorter reaction time than does the conventional reaction. This method for producing 2-halogenated benzoic acids, in order to achieve the above purpose, is characterized in that benzoic acids and a halogenating agent are reacted in the presence of an alkaline compound, making it possible to highly selectively obtain 2-halogenated benzoic acids.

  本发明的目的是提供一种生产 2-卤代苯甲酸的方法，该方法具有高区域选择性 （高选择性），并且与传统反应相比，反应时间更短。为了达到上述目的，这种生产 2-卤代苯甲酸的方法的特点是苯甲酸和卤化剂在碱性化合物存在下进行反应，从而可以高选择性地获得 2-卤代苯甲酸。
• Braendstroem,A.; Carlsson,A.I., Acta Chemica Scandinavica (1947), 1967, vol. 21, p. 983 - 992
  作者：Braendstroem,A.、Carlsson,A.I.

  DOI：——

  日期：——
• [EN] PHARMACEUTICAL COMPOUNDS AND DERIVATIVES<br/>[FR] COMPOSÉS PHARMACEUTIQUES ET DÉRIVÉS
  申请人：PFIZER PROD INC

  公开号：WO2009027785A2

  公开（公告）日：2009-03-05

  Pharmaceutical compounds according to Formula I and derivatives, pharmaceutical compositions containing such compounds and the use of such compounds to elevate certain plasma lipid levels, including high density lipoprotein-cholesterol and to lower certain other plasma lipid levels, such as LDL-cholesterol and triglycerides and accordingly to treat diseases which are exacerbated by low levels of HDL cholesterol and/or high levels of LDL-cholesterol and triglycerides, such as atherosclerosis and cardiovascular diseases in some mammals, including humans. Formula (I) or a pharmaceutically acceptable salt of said compound; wherein Formula (II) M and J are each independently CH2 or a bond wherein at least one of M and J are CH2.