| 23293-23-4

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机镁
• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 23293-23-4
• 化学式: C6H15MgN
• 分子量: 125.5
• InChiKey: FJNXEFLUWIJZAA-UHFFFAOYSA-N

物化性质

• 沸点：
  66°C
• 密度：
  0.871 g/mL at 25 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.01
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  F,C
• 安全说明：
  S26,S36/37/39,S43,S45,S61,S62
• 危险类别码：
  R11,R14/15,R19,R35,R37,R40,R52/53,R65,R68
• WGK Germany：
  3
• 海关编码：
  29310099

文献信息

• [EN] PROCESS FOR THE PREPARATION OF 1-(6-METHYLPYRIDIN-3-YL)-2-(4-METHYLTHIOPHENYL)-ETHANONE AND ITS USE IN THE SYNTHESIS OF DIARYLPYRIDINES<br/>[FR] PROCEDE DE PREPARATION D'INTERMEDIAIRES UTILISABLES DANS LA SYNTHESE DE DIARYLPYRIDINES
  申请人：ZAMBON SPA

  公开号：WO2001029003A1

  公开（公告）日：2001-04-26

  A process for the preparation of intermediates useful in the synthesis of diarylpyridines having COX-2 inhibitor activity. A preferred embodiment of the process object of the present invention is represented by the synthesis of (VI) comprising (a) the reaction between a 6-methyl-nicotinic acid ester of formula (III) wherein R1 is a linear or branched C1-C4 alkyl; and (4-methylthio-phenyl)-acetonitrile (IV) in the presence of a base and in a suitable solvent to give 3-(6-methyl-pyridin-3-yl)-2-(4-methylthio-phenyl)-3-oxo-propionitrile (V); (b) the optional conversion of the compound (V) into a salt thereof with an organic or inorganic acid; (c) the acid hydrolysis and the decarboxylation of the compound (V) or of the salt thereof.