N-甲基-gamma-(4-甲基苯氧基)苯丙胺盐酸盐 | 873310-31-7

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: N-甲基-gamma-(4-甲基苯氧基)苯丙胺盐酸盐
• 中文别名: 托莫西汀相关物质C
• 英文名称: N-methyl-3-phenyl-(p-methylphenoxy)propylamine hydrochloride
• 英文别名: p-Methyl Atomoxetine Hydrochloride；N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine;hydrochloride
• CAS: 873310-31-7
• 化学式: C₁₇H₂₁NO*ClH
• 分子量: 291.821
• InChiKey: JVGQLTAODNXGTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.15
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  21.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• WGK Germany：
  3

文献信息

• [EN] SYNTHESIS OF ATOMOXETINE HYDROCHLORIDE<br/>[FR] SYNTHESE D'HYDROCHLORURE D'ATOMOXETINE
  申请人：REDDYS LAB LTD DR

  公开号：WO2006037055A1

  公开（公告）日：2006-04-06

  (±)-Atomoxetine oxalate having crystalline Form II and a solid (±)-atomoxetine free base are useful in preparing atomoxetine hydrochloride.

  (±)-酒石酸阿托莫西汀II型晶体和固体(±)-阿托莫西汀游离碱在制备盐酸阿托莫西汀时是有用的。
• Isolated atomoxetine impurity, processes for the preparation of atomoxetine impurities and their use as reference standards
  申请人：Castelli Eugenio

  公开号：US20060009532A1

  公开（公告）日：2006-01-12

  The present invention provides isolated N-methyl-3-(3-methylphenoxy)-3-phenylpropylamine hydrochloride, and preparation thereof as well as of N-methyl-3-(4-methylphenoxy)-3-phenylpropylamine hydrochloride and of N-methyl-3-phenoxy-3-phenylpropylamine hydrochloride. The invention further provides the use of the above compounds as reference markers and/or reference standards during the synthesis of Atomoxetine. Also provided is a method of limiting the amounts of the impurities 3FT (3-fluorotoluene), 4FT (4-fluorotoluene), and FB (fluorobenzene) in the 2-fluorotoluene starting material used in the synthesis of Atomoxetine Hydrochloride. The purity of the Atomoxetine Hydrochloride product is ensured by determining the amounts of 3FT, 4FT, and FB in the 2-fluorotoluene starting material with the marker 3-ATM HCl.

  本发明提供了N-甲基-3-(3-甲基苯氧基)-3-苯基丙胺盐酸盐的分离物，以及其制备方法，以及N-甲基-3-(4-甲基苯氧基)-3-苯基丙胺盐酸盐和N-甲基-3-苯氧基-3-苯基丙胺盐酸盐的制备方法。本发明进一步提供了上述化合物在合成阿托莫西汀期间作为参考标记物和/或参考标准物的用途。还提供了一种限制合成阿托莫西汀盐酸盐时2-氟甲苯起始材料中杂质3FT（3-氟甲苯）、4FT（4-氟甲苯）和FB（氟苯）量的方法。通过使用标记物3-ATM HCl确定2-氟甲苯起始材料中3FT、4FT和FB的含量，确保阿托莫西汀盐酸盐产品的纯度。
• Synthesis of Atomoxetine Hydrochloride
  申请人：Mathad Thippannachar Vijayavitthal

  公开号：US20080004470A1

  公开（公告）日：2008-01-03

  (±)-Atomoxetine oxalate having crystalline Form II and a solid (±)-atomoxetine free base are useful in preparing atomoxetine hydrochloride.

  (±)-草酸阿托莫西汀II型晶体和固体(±)-阿托莫西汀游离碱在制备阿托莫西汀盐酸盐时是有用的。
• AN IMPROVED PROCESS FOR THE PREPARATION OF 3-ARYLOXY-3-PHENYLPROPYLAMINE AND SALT THEREOF
  申请人：ZCL CHEMICALS LIMITED

  公开号：US20160107983A1

  公开（公告）日：2016-04-21

  The present invention relates to an industrially feasible and economically viable process for the preparation of 3-aryloxy-3-phenylpropylarnine and salt of formula I thereof.

  本发明涉及一种工业可行且经济可行的制备3-芳氧基-3-苯基丙基胺及其盐的公式I的过程。
• AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS
  申请人：Teva Pharmaceutical Fine Chemicals S.R.L.

  公开号：EP1761478A2

  公开（公告）日：2007-03-14