2-(7-Ethoxynaphthalen-1-yl)acetonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(7-Ethoxynaphthalen-1-yl)acetonitrile
• 英文别名: 2-(7-ethoxynaphthalen-1-yl)acetonitrile
• 化学式: C₁₄H₁₃NO
• 分子量: 211.26
• InChiKey: GTVWMPFUOTWFBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• [EN] PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION D'AGOMÉLATINE À L'AIDE DE NOUVEAUX INTERMÉDIAIRES
  申请人：SYMED LABS LTD

  公开号：WO2014064706A1

  公开（公告）日：2014-05-01

  Provided herein are novel, commercially viable and industrially advantageous processes for the preparation of Agomelatine or a salt thereof, in high yield and purity, using novel intermediates.

  本文提供了一种新颖、商业可行且在工业上具有优势的过程，用于制备阿戈美拉汀或其盐，高产率和纯度，使用新颖的中间体。
• EP2909166A1
  申请人：——

  公开号：EP2909166A1

  公开（公告）日：2015-08-26
• [EN] AN IMPROVED PROCESS FOR PREPARATION OF AGOMELATINE<br/>[FR] PROCÉDÉ PERFECTIONNÉ POUR LA PRÉPARATION D'AGOMÉLATINE
  申请人：CADILA HEALTHCARE LTD

  公开号：WO2014072998A1

  公开（公告）日：2014-05-15

  The present invention provides an improved process for preparing agomelatine of formula (I). The process comprises reacting 7-methoxy tetralone with cyanoacetic acid in an organic solvent to obtain (7-methoxy-3,4-dihydro- 1 -naphthalenyl)acetonitrile of Formula (B); treating compound of Formula (B) with a catalyst to obtain (7-methoxy- 1 - naphthyl)acetonitrile of Formula (C); reducing compound of formula (C) with hydrogen in presence of Raney nickel in ammoniacal methanol medium and subsequently converting to a salt using hydrochloric acid to obtain 2-(7-methoxy- 1 -naphthyI)ethanamine hydrochloride of formula (D); iv) reacting compound of formula (D) with acetic anhydride or acetic chloride in an organic solvent in presence of a base and a catalyst to obtain agomelatine of Formula (I); and optionally purifying agomelatine of Formula (I). The present invention also provides a process for preparing polymorphic Form-I of agomelatine of formula (I) comprising treating agomelatine of formula (I) in a suitable organic solvent; and isolating polymorphic Form-I of agomelatine of formula (I).