帕潘立酮杂质16 | 1006685-69-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 中文名称: 帕潘立酮杂质16
• 英文名称: Paliperidone Carboxylate Impurity
• 英文别名: 2-(9-hydroxy-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl 4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxylate
• CAS: 1006685-69-3
• 化学式: C₂₄H₂₇FN₄O₅
• 分子量: 470.5
• InChiKey: URCWIRWSGZNAPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• PROCESS FOR THE PURIFICATION OF PALIPERIDONE
  申请人：Mantegazza Simone

  公开号：US20100267954A1

  公开（公告）日：2010-10-21

  Process for the purification of paliperidone by formation of a salt thereof, such as the hydrochloride.

  通过形成其盐（例如盐酸盐）的方法纯化帕利哌酮的过程。
• [EN] AN IMPROVED PROCESS FOR THE PREPARATION OF HIGHLY PURE PALIPERIDONE<br/>[FR] PROCÉDÉ AMÉLIORÉ DE PRÉPARATION DE PALIPÉRIDONE TRÈS PURE
  申请人：MEGAFINE PHARMA P LTD

  公开号：WO2012035554A1

  公开（公告）日：2012-03-22

  An improved process for the preparation of pure paliperidone which is substantially free from impurity namely, keto paliperidone. 3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro- 4H-pyrido[1,2-a]-pyrimidin-4-one is condensed with 6-fluoro-3-piperidin-4-yl-1,2- benzisoxazole hydrochloride or a salt thereof in the presence of solvent, base and a catalyst to obtain crude paliperidone. The crude paliperidone is purified by treating it with solvent in presence of base at reflux temperature to obtain clear solution which is cooled to crystallizing out pure paliperidone.

  一种改进的制备纯帕利哌酮的工艺，该工艺基本上不含杂质，即酮基帕利哌酮。3-(2-氯乙基)-9-羟基-2-甲基-6,7,8,9-四氢-4H-吡啶[1,2-a]-嘧啶-4-酮与6-氟-3-哌啶-4-基-1,2-苯并异噁唑盐酸盐或其盐在溶剂、碱和催化剂的存在下缩合，以得到粗帕利哌酮。通过在碱的存在下以沸腾温度处理溶剂来净化粗帕利哌酮，得到清晰溶液，冷却结晶出纯帕利哌酮。
• PALIPERIDONE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF IMPURITIES
  申请人：Dixit Girish

  公开号：US20120164188A1

  公开（公告）日：2012-06-28

  Provided herein are impurities of paliperidone, 3-[2-[4-[1-(4-fluoro-2-hydroxyphenyl)methanoyl]piperidinyl-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (methanoyl impurity), 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (dehydroxy impurity) and 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4,9-dione (9-keto impurity), and processes for preparing and isolating thereof. Provided further herein is a highly pure paliperidone or a pharmaceutically acceptable salt thereof substantially free of methanoyl, dehydroxy and 9-keto impurities, process for the preparation thereof, and pharmaceutical compositions comprising highly pure paliperidone or a pharmaceutically acceptable salt thereof substantially free of methanoyl, dehydroxy and 9-keto impurities. Provided also herein are improved and efficient processes for preparing paliperidone intermediates.

  本文提供了帕利哌酮的杂质，包括3-[2-[4-[1-(4-氟-2-羟基苯基)甲酰]哌啶-1-基]乙基]-2-甲基-6,7,8,9-四氢-4H-吡啶并[1,2-a]嘧啶-4-酮（甲酰基杂质）、3-[2-[4-(6-氟-1,2-苯并异噁唑-3-基)-1-哌啶基]乙基]-2-甲基-4H-吡啶并[1,2-a]嘧啶-4-酮（去羟基杂质）和3-[2-[4-(6-氟-1,2-苯并异噁唑-3-基)-1-哌啶基]乙基]-2-甲基-7,8-二氢-6H-吡啶并[1,2-a]嘧啶-4,9-二酮（9-酮杂质），以及其制备和分离的方法。本文还提供了高纯度的帕利哌酮或其药学上可接受的盐，基本上不含甲酰基、去羟基和9-酮杂质，以及其制备方法和含有高纯度帕利哌酮或其药学上可接受的盐的制剂。本文还提供了改进和高效的帕利哌酮中间体制备方法。
• Process for the purification of paliperidone
  申请人：Dipharma Francis S.r.l.

  公开号：EP2243780A2

  公开（公告）日：2010-10-27

  Process for the purification of paliperidone by formation of a salt thereof, such as the hydrochloride.

  通过形成其盐（如盐酸盐）提纯帕利哌酮的工艺。
• Pure paliperidone and processes for preparing thereof
  申请人：Ini Santiago

  公开号：US20080171876A1

  公开（公告）日：2008-07-17

  The present invention provides pure paliperidone as well as purification processes to obtain thereof.