4-methyl-3-propyl-pent-4-en-2-one | 90645-80-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-methyl-3-propyl-pent-4-en-2-one
• 英文别名: 3-Prop-1-en-2-ylhexan-2-one
• CAS: 90645-80-0
• 化学式: C₉H₁₆O
• 分子量: 140.225
• InChiKey: IIMCLSMRECWCLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• [EN] PROCESS FOR PREPARING PALIPERIDONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION DE PALIPÉRIDONE ET DE SES SELS PHARMACEUTIQUEMENT ACCEPTABLES DE CES DERNIERS
  申请人：CADILA HEALTHCARE LTD

  公开号：WO2011073997A2

  公开（公告）日：2011-06-23

  The present invention discloses the process for the preparation of paliperidone and its pharmaceutically acceptable salts comprising (a) condensing 2-amino-3-hydroxy- pyridine with 2-acetylbutyro lactone in the presence of an acid catalyst to isolate 9- hydroxy-3-(2-hydroxyethyl)-2-rnethyl-4H-pyrido[l, 2-a] pyrimidin-4-one; treating 9- hydroxy-3-(2-hydroxyethyl)-2-methyl-4H-pyrido[l, 2-a] pyrimidin-4-one with a chlorinating agent; hydrogenating the product in the presence of one or more lewis acids to obtain 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrrido[l,2-a]- pyrimidin-4-one; and condensing3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2- methyl-4H-pyrrido[l,2-a]-pyrimidin-4-one. The present invention also discloses processes for the preparation of intermediates useful in the preparation of paliperidone and its pharmaceutically acceptable salts.