(R,S)-(+/-)-sodium 2-(4-isobutylphenyl)propionate dihydrate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: (R,S)-(+/-)-sodium 2-(4-isobutylphenyl)propionate dihydrate
• 英文别名: sodium (RS)-2-(4-isobutylphenyl)propanoate dihydrate；(R,S)-(+/-)-sodium ibuprofen dihydrate；(RS)-ibuprofen sodium dihydrate；(-) sodium 2-(4-isobutyl phenyl) propionate dihydrate；sodium 2-(4-isobutylphenyl)propionate dihydrate；sodium;2-[4-(2-methylpropyl)phenyl]propanoate;hydrate
• 化学式: C₁₃H₁₇O₂*2H₂O*Na
• 分子量: 264.297
• InChiKey: UANBKGPNWATNIH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.08
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  41.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  布洛芬 在 sodium 2-ethylhexanoic acid 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 7.0h， 生成 (R,S)-(+/-)-sodium 2-(4-isobutylphenyl)propionate dihydrate
  参考文献：
  名称：

  Novel process for producing Ibuprofen sodium dihydrate

  摘要：

  本文披露了一种新型制备伊布普洛芬的二水合钠盐的方法，该方法通过在水有机溶剂存在下，将长链羧酸盐的化合物（结构式III）与伊布普洛芬的化合物（结构式II）反应，制备伊布普洛芬的二水合钠盐（结构式I）。

  公开号：

  US20050272818A1

文献信息

• Rapidly solubilizing ibuprofen granulate
  申请人：Losan Pharma GmbH

  公开号：EP1800667A1

  公开（公告）日：2007-06-27

  A process for producing a rapidly solubilizing ibuprofen granulate, the process comprising providing a mixture comprising solid ibuprofen and at least 0.8 mole per mole ibuprofen of one or more basic compounds, which basic compounds comprise from 0.5 to 1.2 mole per mole ibuprofen, but not more, of a base selected from the group consisting of sodium hydroxide, potassium hydroxide, sodium carbonate, potassium carbonate, sodium glycinate, potassium glycinate, tribasic sodium and potassium phosphates and mixtures of said bases, and reacting the ibuprofen and said one or more basic compounds in the presence of not more free water than the quantity exceeding the amount of water required for forming solid hydrates in said granulate by more than 1 mole per mole of ibuprofen. The obtainable granulate and the pharmaceutical compositions and dosage forms that may be produced therefrom are distinguished by their high solubility and rapid disintegration and dissolution in aqueous media, by their good flow properties and compressibility, by rapidly achieving onset of analgesic effect, etc.

  一种制备快速溶解布洛芬颗粒的方法，该方法包括提供一种混合物，该混合物包括固态布洛芬和至少0.8摩尔/摩尔布洛芬的一种或多种碱性化合物，其中所述碱性化合物包括每摩尔布洛芬0.5至1.2摩尔，但不超过该数量的一种选自羟氧化钠、羟氧化钾、碳酸钠、碳酸钾、甘氨酸钠、甘氨酸钾、三碱性磷酸钠和钾及其混合物的碱。在不超过所述颗粒中所需水分数量超过每摩尔布洛芬1摩尔的自由水存在下，将布洛芬和所述一种或多种碱性化合物在反应中。可获得的颗粒以及可以从中制备的药物组成物和剂型具有高溶解度和快速在水性介质中分解和溶解，具有良好的流动性和可压缩性，快速达到镇痛效果等特点。
• Novel process for producing Ibuprofen sodium dihydrate
  申请人：Akbarali Mohammed Padiyath

  公开号：US20050272818A1

  公开（公告）日：2005-12-08

  Disclosed herein is a novel process for producing Sodium dihydrate salt of Ibuprofen of Formula (Structure I) by treating a salt of long chain carboxylic acid of Formula (Structure III) with Ibuprofen of Formula (Structure II) in the presence of an aqueous organic solvent.

  本文披露了一种新型制备伊布普洛芬的二水合钠盐的方法，该方法通过在水有机溶剂存在下，将长链羧酸盐的化合物（结构式III）与伊布普洛芬的化合物（结构式II）反应，制备伊布普洛芬的二水合钠盐（结构式I）。
• [EN] ARYL ALKYL CARBOXYLIC ACID SALTS, PROCESS FOR PREPARATION AND DOSAGE FORMS<br/>[FR] SELS D’ACIDE ARYLALKYLCARBOXYLIQUE, PROCÉDÉ POUR LEUR PRÉPARATION ET FORMES GALÉNIQUES
  申请人：SHASUN CHEMICALS AND DRUGS LTD

  公开号：WO2011001228A1

  公开（公告）日：2011-01-06

  The invention particularly discloses a process for preparing aryl alkyl carboxylic acid salts by preparing aqueous alkali solution, adding aryl alkyl carboxylic acid to said alkali solution at a temperature ranging from 4° to 121° C for obtaining a clear solution, preferably by heating and/or stirring and concentrating and cooling to obtain aryl alkyl carboxylic acid salt The invention therefore discloses solid oral dosage forms and compositions of aryl alkyl carboxylic acid salts which are free of organic solvent/so. The solid oral dose compositions of aryl alkyl carboxylic acid salts of the invention arc prepared in situ from aryl alkyl carboxylic acids and bases to obtain aryl acid alkyl carboxylic acid sails in crystalline/powder form with or without the use of pharmaceutical excipients.

  该发明特别公开了一种制备芳基烷基羧酸盐的过程，包括制备水溶性碱溶液，在4℃至121℃的温度范围内将芳基烷基羧酸添加到碱溶液中，通过加热和/或搅拌使其变为清澈的溶液，然后浓缩和冷却以获得芳基烷基羧酸盐。因此，该发明公开了不含有机溶剂/酸的芳基烷基羧酸盐的固体口服剂型和组合物。该发明的芳基烷基羧酸盐的固体口服剂型是通过原位制备芳基烷基羧酸和碱来获得晶体/粉末形式的芳酸烷基羧酸盐，可以使用药用辅料来制备。
• ARYL ALKYL CARBOXYLIC ACID SALTS, PROCESS FOR PREPARATION AND DOSAGE FORMS
  申请人：Chodankar Nandkumar

  公开号：US20110144207A1

  公开（公告）日：2011-06-16

  The invention particularly discloses a process for preparing aryl alkyl carboxylic acid salts by preparing aqueous alkali solution, adding aryl alkyl carboxylic acid to said alkali solution at a temperature ranging from 4° to 121° C. for obtaining a clear solution, preferably by heating and/or stirring and concentrating and cooling to obtain aryl alkyl carboxylic acid salt The invention therefore discloses solid oral dosage forms and compositions of aryl alkyl carboxylic acid salts which are free of organic solvent/so. The solid oral dose compositions of aryl alkyl carboxylic acid salts of the invention are prepared in situ from aryl alkyl carboxylic acids and bases to obtain aryl acid alkyl carboxylic acid sails in crystalline/powder form with or without the use of pharmaceutical excipients.

  本发明特别公开了一种制备芳基烷基羧酸盐的方法，包括制备水溶性碱性溶液，将芳基烷基羧酸加入该碱性溶液中，在4℃至121℃的温度范围内获得清晰的溶液，最好通过加热和/或搅拌、浓缩和冷却来获得芳基烷基羧酸盐。因此，本发明公开了不含有机溶剂/酮的芳基烷基羧酸盐的固体口服剂型和组合物。本发明的芳基烷基羧酸盐的固体口服剂型组合物通过从芳基烷基羧酸和碱基中原位制备获得，以获得晶体/粉末形式的芳酸烷基羧酸盐，可以使用药用辅料，也可以不使用。
• Composition of s(-) sodium ibuprofen
  申请人：The Boots Company PLC

  公开号：US05696165A1

  公开（公告）日：1997-12-09

  The use of S(-)sodium 2-(4-isobutylphenyl)propionate (the sodium salt of S(+)-ibuprofen) in pharmaceutical compositions for the treatment of inflammation, pain and pyrexia is described. Preferred compositions comprise S(-)sodium 2-(4-isobutylphenyl)propionate dihydrate. Processes to prepare S(-)sodium 2-(4-isobutyl-phenyl)propionate and its use in a process to prepare S(+) 2-(4-isobutylphenyl)propionic acid of high enantiomeric purity are also described.

  本文描述了在制药组合物中使用S(-) 2-(4-异丁基苯基)丙酸钠盐（S(+)-布洛芬的钠盐）治疗炎症、疼痛和发热。首选组合物包括S(-) 2-(4-异丁基苯基)丙酸钠盐二水合物。本文还描述了制备S(-) 2-(4-异丁基苯基)丙酸钠盐及其在制备高对映纯度S(+) 2-(4-异丁基苯基)丙酸过程中的使用的方法。