3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7-dihydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one | 913728-82-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7-dihydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
• 英文别名: 3-[2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7-dihydropyrido[1,2-a]pyrimidin-4-one
• CAS: 913728-82-2
• 化学式: C₂₃H₂₅FN₄O₂
• 分子量: 408.476
• InChiKey: JABYQTUKAYJHDW-UHFFFAOYSA-N

物化性质

• 沸点：
  573.9±60.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  61.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  帕潘立酮棕榈酸酯 生成 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7-dihydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one 、 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-9-pentadecyl-4H-pyrido[1,2-a]pyrimidin-4-one 、 帕潘立酮
  参考文献：
  名称：

  WO2006/114384

  摘要：

  公开号：

文献信息

• PREPARATION OF ASEPTIC 3-[2-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL]ETHYL]-6,7,8,9-TETRAHYDRO-9-HYDROXY-2-METHYL-4H-PYRIDIO[1,2-A]PYRIMIDIN-4-ONE PALMITATE ESTER
  申请人：Janssen Pharmaceutica NV

  公开号：EP1879890A1

  公开（公告）日：2008-01-23
• Preparation of Aseptic 3-[2-[4-((6-Fluoro-1,2-Benzisoxazol-3-Yl)-1-Piperidinyl]-6,7,8,9-Tetrahydro-9-Hydroxy-2-Methyl-4H-Pyrido[1,2-a]Pyrimidin-4-One Palmitate Ester
  申请人：Spittaels Thomas Frederik Ernestine

  公开号：US20080214808A1

  公开（公告）日：2008-09-04

  The present invention concerns a process for preparing aseptic crystalline 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one palmitate ester (I) substantially free of 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (II-a), 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3 -yl)-1-piperidinyl]ethyl]-6,7-dihydro-2-methyl-4H-pyrido[1,2-a]-pyrimidin-4-one (II-b), and 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-ethyl]-6,7,8,9-tetrahydro-2-methyl-9-pentadecyl-4H-pyrido[1,2-a]pyrimidin-4-one (III), and having an average particle size ranging from 20 to 150 μm.
• [EN] PREPARATION OF ASEPTIC 3-[2-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL]ETHYL]-6,7,8,9-TETRAHYDRO-9-HYDROXY-2-METHYL-4H-PYRIDIO[1,2-A]PYRIMIDIN-4-ONE PALMITATE ESTER<br/>[FR] PREPARATION D'ESTER DE 3-[2-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL]ETHYL]-6,7,8,9-TETRAHYDRO-9-HYDROXY-2-METHYL-4H-PYRIDIO[1,2-A]PYRIMIDIN-4-ONE PALMITATE ASEPTIQUE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006114384A1

  公开（公告）日：2006-11-02

  [EN] The present invention concerns a process for preparing aseptic crystalline 3-[2-[4- (6-fluoro-l,2-benzisoxazol-3-yl)-l-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy- 2-methyl-4H-pyrido[l,2-a]pyrimidin-4-one palmitate ester (I) substantially free of 3-[2-[4-(6-fluoro- 1 ,2-benzisoxazol-3-yl)- 1 -piperidinyl]ethyl]-6,7,8,9-tetrahydro-9- hydroxy-2-methyl-4H-pyrido[ 1 ,2-a] pyrimidin-4-one (II-a), 3-[2-[4-(6-fluoro-l ,2- benzisoxazol-3-yl)-l-piperidinyl]ethyl]-6,7-dihydro-2-methyl-4H-pyrido[l ,2-a]- pyrimidin-4-one (II-b), and 3-[2-[4-(6-fluoro-l,2-benzisoxazol-3-yl)-l-piperidinyl]- ethyl]-6,7,8,9-tetrahydro-2-methyl-9-pentadecyl-4H-pyrido[l ,2-a]pyrimidin-4-one (III), and having an average particle size ranging from 20 to 150 µm.
  [FR] L'invention concerne un procédé de préparation d'ester de 3-[2-[4- (6-fluoro-l,2-benzisoxazol-3-yl)-l-pipéridinyl]éthyl]-6,7,8,9-tétrahydro-9-hydroxy-2-méthyl-4H-pyrido[l,2-a]pyrimidin-4-one de palmitate cristallin aseptique (I) sensiblement exempt de 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-pipéridinyl]éthyl]-6,7,8,9-tétrahydro-9- hydroxy-2-méthyl-4H-pyrido[1,2-a] pyrimidin-4-one (II-a), 3-[2-[4-(6-fluoro-l,2- benzisoxazol-3-yl)-l-pipéridinyl]éthyl]-6,7-dihydro-2-méthyl-4H-pyrido[l,2-a]- pyrimidin-4-one (II-b), et 3-[2-[4-(6-fluoro-l,2-benzisoxazol-3-yl)-l-pipéridinyl]-éthyl]-6,7,8,9-tétrahydro-2-méthyl-9-pentadécyl-4H-pyrido[l,2-a]pyrimidin-4-one (III), et qui présente une dimension granulométrique moyenne comprise entre 20 et 150 ?m.
• WO2006/114384
  申请人：——

  公开号：——

  公开（公告）日：——