3-溴-2-乙基-苯甲酸 | 99548-72-8

• 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: 3-溴-2-乙基-苯甲酸
• 英文名称: 3-bromo-2-ethylbenzoic acid
• 英文别名: 2-Ethyl-3-brom-benzoesaeure
• CAS: 99548-72-8
• 化学式: C₉H₉BrO₂
• 分子量: 229.073
• InChiKey: VXQLZSPAHPPVPE-UHFFFAOYSA-N

物化性质

• 熔点：
  100-101 °C
• 沸点：
  313.2±30.0 °C(Predicted)
• 密度：
  1.517±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  2
• 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

安全信息

• 海关编码：
  2916399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为产物：
  描述：

  3,7-Dibrom-2-ethyl-tropon 在 sodium hydroxide 作用下， 生成 3-溴-2-乙基-苯甲酸
  参考文献：
  名称：

  Reaction of Troponoids and Organometallic Compounds. V. Reaction of Bromotropolones and Alkylmagnesium Iodides

  摘要：

  DOI：

  10.1246/bcsj.33.628

文献信息

• [EN] BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS<br/>[FR] TRIAZOLES SUBSTITUES PAR BIARYLE UTILISES COMME INHIBITEURS DES CANAUX SODIQUES
  申请人：MERCK & CO INC

  公开号：WO2004083189A1

  公开（公告）日：2004-09-30

  Biaryl substituted triazole compounds represented by Formula I, II or III, or pharmaceutically acceptable salts thereof, and a process for making such compounds and salts thereof. Pharmaceutical compositions comprise an effective amount of the instant compounds, either alone, or in combination with one or more other therapeutically active compounds, and a pharmaceutically acceptable carrier. Methods of treating conditions associated with, or caused by, sodium channel activity, including, for example, acute pain, chronic pain, visceral pain, inflammatory pain, neuropathic pain, epilepsy, irritable bowel syndrome, depression, anxiety, multiple sclerosis, and bipolar disorder, comprise administering an effective amount of the present compounds, either alone, or in combination with one or more other therapeutically active compounds. A method of administering local anesthesia comprises administering an effective amount of a compound of the instant invention, either alone, or in combination with one or more other therapeutically active compounds, and a pharmaceutically acceptable carrier.

  双芳基取代的三唑化合物，如式I、II或III所示，或其药学上可接受的盐，以及制备此类化合物及其盐的方法。药用组合物包含本发明化合物的有效量，可单独使用，或与一种或多种其他治疗活性化合物联合使用，并配以药学上可接受的载体。治疗与钠通道活性相关或由其引起的病症的方法，包括例如急性疼痛、慢性疼痛、内脏疼痛、炎症性疼痛、神经病性疼痛、癫痫、肠易激综合征、抑郁症、焦虑症、多发性硬化症和双相情感障碍，包括施用本发明化合物的有效量，可单独使用，或与一种或多种其他治疗活性化合物联合使用。实施局部麻醉的方法包括施用本发明化合物的有效量，可单独使用，或与一种或多种其他治疗活性化合物联合使用，并配以药学上可接受的载体。
• [EN] PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] DÉRIVÉS DE PIPÉRIDINE EN TANT QUE MODULATEURS D'ACTIVITÉ DE RÉCEPTEUR DE CHIMIOKINE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2009015166A1

  公开（公告）日：2009-01-29

  The present application describes modulators of MIP-1 of formula (I) : or stereoisomers or pharmaceutically acceptable salts thereof, wherein m, Q, T, W, Z, R1, R3, R4, R5, R5a and R5b, are as set forth above. In addition, methods of treating and preventing inflammatory diseases such as asthma and allergic diseases, as well as autoimmune pathologies such as rheumatoid arthritis and atherosclerosis using the modulators are disclosed.

  本申请描述了公式（I）的MIP-1调节剂：或其立体异构体或药用可接受的盐，其中m、Q、T、W、Z、R1、R3、R4、R5、R5a和R5b如上所述。此外，还公开了利用这些调节剂治疗和预防哮喘和过敏性疾病等炎症性疾病，以及类风湿关节炎和动脉粥样硬化等自身免疫病理的方法。
• PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY
  申请人：Gardner Daniel S.

  公开号：US20100204274A1

  公开（公告）日：2010-08-12

  The present application describes modulators of MIP-1α of formula (I) or stereoisomers or prodrugs or pharmaceutically acceptable salts thereof, wherein m, Q, T, W, Z, R 1 , R 3 , R 4 , R 5 , R 5a and R 5b , are as defined herein. In addition, methods of treating and preventing inflammatory diseases such as asthma and allergic diseases, as well as autoimmune pathologies such as rheumatoid arthritis and atherosclerosis using the modulators of formula (I) are disclosed.

  本申请描述了公式(I)的MIP-1α的调节剂，或其立体异构体或前药或其药用可接受的盐，其中m、Q、T、W、Z、R1、R3、R4、R5、R5a和R5b如本文所定义。此外，还披露了利用公式(I)的调节剂治疗和预防哮喘和过敏病等炎症性疾病，以及类风湿关节炎和动脉粥样硬化等自身免疫病理的方法。
• 4-Aralkyl-5-substituted-1,2,4-triazole-5-thiols
  申请人：SMITHKLINE BECKMAN CORPORATION

  公开号：EP0323737A1

  公开（公告）日：1989-07-12

  Compounds of formula (I) and pharmaceutically acceptable salts thereof are described in which, n is 0 to 5; X¹ to X⁵ are any accessible combination of hydrogen, halogen, C₁₋₆alkyl, C₁₋₆alkoxy, cyano, nitro, SONH₂, SO₂NH₂, SO₂CH₃, SO₂CH₂F, SO₂CHF₂, SO₂CF₃, CF₃, CHO, OH, CH₂OH, CO₂H, or CO₂CpH2p+1 wherein p is 1 to 4; R¹ is phenyl substituted by X¹ to X⁵, C₁₋₄alkyl, C₃₋₆cycloalkyl, or an arylC₁₋₄alkyl group substituted by X¹ to X⁵; R² is hydrogen, C₁₋₄alkyl or (CH₂)m-CO₂R³; m is 0 to 5; and R³ is H or C₁₋₄alkyl. These compounds are dopamine-β-hydroxylase inhibitors. Pharmaceutical compositions are described as are methods of use. Processes for the preparation of these compounds are described.

  描述了式（I）的化合物及其药学上可接受的盐，其中，n为0至5；X¹至X⁵为氢、卤素、C₁₋₆烷基、C₁₋₆烷氧基、氰基、硝基、SONH₂、SO₂NH₂、SO₂CH₃、SO₂CH₂F、SO₂CHF₂、SO₂CF₃、CF₃、CHO、OH、CH₂OH、CO₂H或CO₂CpH2p+1的任意可访问组合，其中p为1至4；R¹为被X¹至X⁵取代的苯基、C₁₋₄烷基、C₃₋₆环烷基或被X¹至X⁵取代的芳基C₁₋₄烷基基团；R²为氢、C₁₋₄烷基或（CH₂）m-CO₂R³；m为0至5；R³为H或C₁₋₄烷基。这些化合物是多巴胺-β-羟基化酶抑制剂。描述了药物组合物以及使用方法。描述了这些化合物的制备过程。
• [EN] INDANONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS<br/>[FR] FACTEURS DE POTENTIALISATION D'INDANONE DE RÉCEPTEURS MÉTABOTROPIQUES DE GLUTAMATES
  申请人：MERCK & CO INC

  公开号：WO2006015158A1

  公开（公告）日：2006-02-09

  The present invention is directed to compounds which are potentiators of metabotropic glutamate receptors, including the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及一类潜在激活代谢型谷氨酸受体的化合物，包括mGluR2受体，这些化合物在治疗或预防与谷氨酸功能障碍相关的神经系统和精神疾病以及代谢型谷氨酸受体参与的疾病中具有用途。该发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在预防或治疗代谢型谷氨酸受体参与的疾病中的用途。