曲唑酮杂质V | 53689-10-4

• 物质功能分类: 有机原料 - 酮类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 曲唑酮杂质V
• 英文名称: 2-{3-[bis-(2-chloro-ethyl)-amino]-propyl}-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
• 英文别名: 2-[3-[Bis(2-chloroethyl)amino]propyl]-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one；2-[3-[bis(2-chloroethyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
• CAS: 53689-10-4
• 化学式: C₁₃H₁₈Cl₂N₄O
• 分子量: 317.218
• InChiKey: XZFRYYHZODSXRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  曲唑酮杂质V 、 3-氯-4-氟苯胺 生成 2-[3-[4-(3-Chloro-4-fluorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
  参考文献：
  名称：

  SILVESTRINI, B.;BAIOCCHI, L.

  摘要：

  DOI：

文献信息

• [EN] AN IMPROVED PROCESS FOR THE PREPARATION OF TRAZODONE AND HYDROCHLORIDE SALT THEREOF<br/>[FR] PROCÉDÉ AMÉLIORÉ POUR LA PRÉPARATION DE TRAZODONE ET SON SEL DE CHLORHYDRATE
  申请人：PIRAMAL ENTPR LTD

  公开号：WO2015110883A1

  公开（公告）日：2015-07-30

  The present invention provides an improved process for preparation of the substantially pure trazodone and its hydrochloride salt. The process comprises reaction of the compound- Π (as described) with the compound-Ill (as described) optionally in the presence of an inorganic base, and a catalyst; wherein in the said process the trazodone free base and/or its hydrochloride salt are isolated by precipitation at lower temperature. The improved process for the preparation of trazodone hydrochloride (the compound I) provides the product with total amount of alkylating substances (as described herein) as impurity in less than 10 ppm. The improved process for the preparation of trazodone hydrochloride (the compound I) provides the product with total amount of l-(3-chlorophenyl)-4-(3-chloropropyl) piperazine as an impurity in less than 2.5 ppm.

  本发明提供了一种改进的制备几乎纯曲唑酮及其盐酸盐的过程。该过程包括将化合物-Π（如所述）与化合物-III（如所述）在无机碱和催化剂的存在下反应；在该过程中，曲唑酮游离碱和/或其盐酸盐通过在较低温度下沉淀而得到。制备曲唑酮盐酸盐（化合物I）的改进过程将烷基化物（如本文所述）的总量作为杂质控制在不到10ppm。制备曲唑酮盐酸盐（化合物I）的改进过程将1-(3-氯苯基)-4-(3-氯丙基)哌嗪的总量作为杂质控制在不到2.5ppm。
• [EN] TRAZODONE AND TRAZODONE HYDROCHLORIDE IN PURIFIED FORM<br/>[FR] TRAZODONE ET CHLORHYDRATE DE TRAZODONE SOUS FORME PURIFIÉE
  申请人：ACRAF

  公开号：WO2009019133A1

  公开（公告）日：2009-02-12

  A process of production of trazodone or trazodone hydrochloride that comprises the steps of: (a) preparing an organic phase comprising trazodone in at least one organic solvent; (b) preparing an aqueous phase comprising at least one basic compound; (c) mixing said aqueous phase with said organic phase; (d) heating at a temperature o at least 40°C for at least 30 minutes; (e) recovering said trazodone; and, optionally, (f) treating said trazodone with hydrochloric acid to obtain trazodone hydrochloride. Trazodone or trazodone hydrochloride comprising less than 15 ppm of alkylating substances, and a pharmaceutical composition comprising said trazodone hydrochloride.

  生产曲唑酮或曲唑酮盐酸盐的过程，包括以下步骤：(a)准备含有曲唑酮的有机相，其中至少包括一种有机溶剂；(b)准备含有至少一种碱性化合物的水相；(c)将所述水相与所述有机相混合；(d)在至少40°C的温度下加热至少30分钟；(e)回收所述曲唑酮；以及，可选地，(f)用盐酸处理所述曲唑酮以获得曲唑酮盐酸盐。含有少于15ppm烷基化合物的曲唑酮或曲唑酮盐酸盐，以及包括所述曲唑酮盐酸盐的制药组合物。
• TRAZODONE AND TRAZODONE HYDROCHLORIDE IN PURIFIED FORM
  申请人：Aziende Chimiche Riunite Angelini Francesco A.C.R.A.F. S.p.A.

  公开号：EP2178850A1

  公开（公告）日：2010-04-28
• AN IMPROVED PROCESS FOR THE PREPARATION OF TRAZODONE AND HYDROCHLORIDE SALT THEREOF
  申请人：Piramal Enterprises Limited

  公开号：EP3097099A1

  公开（公告）日：2016-11-30
• US8133893B2
  申请人：——

  公开号：US8133893B2

  公开（公告）日：2012-03-13