61338-13-4

Basic information

• Product Name: 1-(3-Carboxypyrid-2-yl)-2-phenyl-4-methyl-piperazine
• Synonyms: 1-(3-carboxy-2-pyridyl)-4-methyl-2-phenylpiperazine;1-(3-Carboxypyrid-2-yl)-2-phenyl-4-methyl-piperazine;2-(4-Methyl-2-phenyl-1-piperazinyl)-3-pyridinecarboxylic acid;Mirtazapine acid;Mirtazapine Carboxylic Acid
• CAS NO: 61338-13-4
• Molecular Formula: C₁₇H₁₉N₃O₂
• Molecular Weight: 297.35
• EINECS: 1806241-263-5
• Product Categories: Heterocycles;Impurities;Intermediates & Fine Chemicals;Pharmaceuticals;Intermediate Mirtazapine
• Mol File: 61338-13-4.mol
• Article Data: 12

Chemical Properties

• Melting Point: 160-161 °C
• Boiling Point: 494.321ºC at 760 mmHg
• Flash Point: 252.756ºC
• Appearance: /
• Density: 1.225
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.61
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 1.83±0.36(Predicted)
• CAS DataBase Reference: 1-(3-Carboxypyrid-2-yl)-2-phenyl-4-methyl-piperazine(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-Carboxypyrid-2-yl)-2-phenyl-4-methyl-piperazine(61338-13-4)
• EPA Substance Registry System: 1-(3-Carboxypyrid-2-yl)-2-phenyl-4-methyl-piperazine(61338-13-4)

Safety Data

• Hazardous Substances Data: 61338-13-4(Hazardous Substances Data)

Usage

Uses

Mirtazapine (M365000) impurity.

InChI:InChI=1/C17H19N3O2/c1-19-10-11-20(15(12-19)13-6-3-2-4-7-13)16-14(17(21)22)8-5-9-18-16/h2-9,15H,10-12H2,1H3,(H,21,22)

Upstream product

• 61337-88-0 3-cyano-2-(4-methyl-2-phenyl-1-piperazynyl)pyridine 
• 6602-54-6 2-chloro-3-pyridinecarbonitrile 
• 5271-27-2 1-methyl-3-phenylpiperazine 
• 10366-35-5 2-chloronicotinamide 

Downstream Products

• 61337-89-1 2-(4-methyl-2-phenylpiperazin-1-yl)-pyridine-3-methanol 
• 85650-52-8 Mirtazapine 

Relevant articles and documents

A synthesis method of midanping

The invention discloses a method for synthesizing mirtazapine. According to the method, 2-halogenated nicotinonitrile is used as an initial compound, and 2-chloronicotinamide, 2-(4-methyl-2phenyl-1-piperazinyl)nicotinamide, 2-(4-methyl-2phenyl-1-piperazinyl)nicotinic acid, 1-(3-hydroxymethylpyridyl-2-)-4-methyl-2-phenylpiperazine and other intermediate products are sequentially synthesized to prepare the mirtazapine. Against the defects in a current mirtazapine synthesizing method, the process is improved, a new synthesizing route is designed, and a preparation method which is economical and is easy for practical operation is provided to mirtazapine synthesis. The method is suitable for large-scale industrial production.

MANUFACTURING METHOD OF PYRIDINEMETHANOL COMPOUND AND MANUFACTURING METHOD OF MIRTAZAPINE

PROBLEM TO BE SOLVED: To provide a method capable of manufacturing a manufacturing intermediate of mirtazapine which is useful as an antidepressant at high yield and manufacturing high purity mirtazapine. SOLUTION: In a method for reacting 2-(4-methyl-2-phenyl-1-piperazinyl)-3-pyridinecarboxylic acid and hydrogenated bis(2-methoxyethoxy)aluminum sodium, manufacturing yield of 2-(4-methyl-2-phenyl-1-piperazinyl)-3-pyridine methanol is improved by washing a reaction mixture with alkali metal halide. Also in the method, by-production amount of dimer impurities during reaction can be suppressed and high quality mirtazapine can be manufactured in a method for reaction 2-(4-methyl-2-phenyl-1-piperazinyl)-3-pyridine methanol and sulfuric acid. SELECTED DRAWING: None COPYRIGHT: (C)2017,JPOandINPIT

PROCESS FOR THE PREPARATION OF 1- ( 3-HYDROXYMETHYLPYRID-2 -YL ) -2 -PHENYL-4-METHYLPIPERAZINE AND MIRTAZAPINE

Disclosed herein is a process for the manufacture of mirtazapine and intermediates useful in preparing mirtazapine which includes the reduction of 1-(3-carboxypyridyl-2)-4-methyl-2-phenylpiperazine with an organoaluminum hydride.