2-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-3-oxobutanic acid methyl ester | 197905-69-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-3-oxobutanic acid methyl ester
• 英文别名: methyl 2-acetyl-4-(4-(methylthio)phenyl)-4-oxobutanoate；2-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-3-oxobutyric acid methyl ester；methyl 2-(4-methylthiophenacyl)acetoacetate；Methyl 2-acetyl-4-(4-methylsulfanylphenyl)-4-oxobutanoate
• CAS: 197905-69-4
• 化学式: C₁₄H₁₆O₄S
• 分子量: 280.345
• InChiKey: GHJWBKZRUFGDPH-UHFFFAOYSA-N

物化性质

• 沸点：
  443.6±45.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  85.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-3-oxobutanic acid methyl ester 在 18-冠醚-6 、 水 、 potassium carbonate 、 三乙胺 、 sodium hydroxide 、 三甲基乙酸 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 40.5h， 生成 (S)-2-ethoxy-3-(4-{2-[2-methyl-5-(4-(methylthio)phenyl)pyrrol-1-yl]ethoxy}phenyl)propionic acid sodium salt
  参考文献：
  名称：

  [EN] AN IMPROVED PROCESS FOR THE PREPARATION OF PYRROLE DERIVATIVES
  [FR] PROCÉDÉ AMÉLIORÉ DE PRÉPARATION DE DÉRIVÉS DE PYRROLE

  摘要：

  公开号：

  WO2015033357A3
• 作为产物：
  描述：

  乙酰乙酸甲酯 、 4-甲基硫代-2-溴苯乙酮 生成 2-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-3-oxobutanic acid methyl ester
  参考文献：
  名称：

  Novel heterocyclic compounds having hypolipidemic, hypocholesteremic activities process for their preparation and pharmaceutical compositions containing them and their use in medicine

  摘要：

  具有降脂和降胆固醇活性的新型&bgr;-芳基-&agr;-取代丙酸。

  公开号：

  US20030236254A1

文献信息

• 1,2-diphenylpyrrole derivatives, their preparation and their therapeutic
  申请人：Sankyo Company, Limited

  公开号：US05908858A1

  公开（公告）日：1999-06-01

  Compounds of formula (I) and (II): ##STR1## \x9bwherein R is hydrogen, halogen or alkyl; R.sup.1 is alkyl, amino or substituted amino; R.sup.2 is optionally substituted phenyl; R.sup.3 is hydrogen, halogen or optionally substituted alkyl; R.sup.4 is hydrogen, optionally substituted alkyl, cycloalkyl, aryl, or aralkyl! have valuable analgesic, anti-inflammatory, anti-pyretic and anti-allergic activities and have the ability to inhibit the production of leukotrienes and to inhibit bone resorption. They are relatively free from the side effects which generally result from the administration of compounds having these kinds of activities.

  化合物的化学式(I)和(II)：其中R为氢、卤素或烷基；R.sup.1为烷基、氨基或取代氨基；R.sup.2为可选择取代的苯基；R.sup.3为氢、卤素或可选择取代的烷基；R.sup.4为氢、可选择取代的烷基、环烷基、芳基或芳基烷基！具有宝贵的镇痛、抗炎、退热和抗过敏活性，并具有抑制白三烯产生和抑制骨吸收的能力。它们相对缺乏通常由于使用具有这些活性的化合物而产生的副作用。
• [EN] NOVEL PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINE<br/>[FR] NOUVEAUX PYRROLES POSSEDANT DES ACTIVITES HYPOLIPIDEMIANTES ET HYPOCHOLESTEROLEMIANTES, PROCEDE DE PREPARATION DE CEUX-CI, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT ET LEUR UTILISATION EN MEDECINE
  申请人：CADILA HEALTHCARE LTD

  公开号：WO2003009841A1

  公开（公告）日：2003-02-06

  The present invention relates to novel substituted pyrrole compounds, their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. This invention particularly relates to novel substituted pyrrole compounds of the general formula (I), their analogs, their derivatives, their polymorphs, their tautomeric forms, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and their pharmaceutical compositions containing them. The invention also relates to the process for preparing such compounds, a composition containing such a compound and the use of such a compound and composition in medicine. The compounds lower triglyceride levels in blood and may be useful in the treatment of obesity, hyperlipidaemia, hypercholesteremia, syndrome X and diabetes.

  本发明涉及一种新型取代吡咯化合物、其衍生物、类似物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂和含有它们的药学上可接受的组合物。本发明特别涉及一般式（I）的新型取代吡咯化合物、其类似物、衍生物、多晶形态、互变异构体、药学上可接受的盐、药学上可接受的溶剂和含有它们的药物组合物。本发明还涉及制备这种化合物的过程、含有这种化合物的组合物以及在医学上使用这种化合物和组合物的用途。这些化合物可以降低血液中的甘油三酯水平，可能有助于治疗肥胖症、高脂血症、高胆固醇血症、X综合症和糖尿病。
• Novel heterocyclic compounds having hypolipidemic, hypocholesteremic activities process for their preparation and pharmaceutical compositions containing them and their use in medicine
  申请人：——

  公开号：US20030236254A1

  公开（公告）日：2003-12-25

  Novel &bgr;-aryl-&agr;-substituted propanoic acids having hypolipidemic and hypocholesteremic activities.

  具有降脂和降胆固醇活性的新型&bgr;-芳基-&agr;-取代丙酸。
• A PROCESS FOR PREPARATION OF PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES
  申请人：CADILA HEALTHCARE LIMITED

  公开号：US20160107989A1

  公开（公告）日：2016-04-21

  The present invention provides pyrroles having hypolipidemic hypocholesteremic activities. The invention provides saroglitazar and its pharmaceutically acceptable salts, hydrates, solvates, polymorphs or intermediates thereof. The invention also provides a process for the preparation of saroglitazar. The invention further provides intermediates as well process for preparation thereof.

  本发明提供了具有降血脂和降胆固醇活性的吡咯烷衍生物。该发明提供了萨罗格利他唑及其药学上可接受的盐、水合物、溶剂物、多晶形或其中间体。该发明还提供了一种制备萨罗格利他唑的方法。该发明还提供了中间体以及其制备方法。
• Process for the preparation of saroglitazar pharmaceutical salts
  申请人：Cadila Healthcare Ltd.

  公开号：US10112898B2

  公开（公告）日：2018-10-30

  The present invention relates to an improved process for the preparation of pyrroles derivatives having hypolipidemic and hypocholesteremic activities. In particular, the invention relates to an improved process for the preparation of 2-ethoxy-3-(4-(2-(2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-1-yl)ethoxy)phenyl)propanoate and its pharmaceutically acceptable salts, hydrates, solvates, polymorphs or intermediates thereof. The invention also relates to an improved process for the preparation of mesylate compound (A1).

  本发明涉及一种制备具有降血脂和降胆固醇活性的吡咯烷衍生物的改进工艺。特别是，本发明涉及一种制备 2-乙氧基-3-(4-(2-(2-甲基-5-(4-(甲硫基)苯基)-1H-吡咯-1-基)乙氧基)苯基)丙酸酯及其药学上可接受的盐、水合物、溶液、多晶型物或中间体的改进工艺。本发明还涉及一种制备甲磺酸盐化合物（A1）的改进工艺。