807638-71-7

Basic information

• Product Name: 2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(Methanesulfonyl)oxy]propyl]phenyl]-2-propanol
• Synonyms: 2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(Methanesulfonyl)oxy]propyl]phenyl]-2-propanol;Montelukast Impurity 12
• CAS NO: 807638-71-7
• Molecular Formula: C₃₀H₃₀ClNO₄S
• Molecular Weight: 536.0815
• EINECS: -0
• Product Categories: Aromatics, Heterocycles, Impurities, Pharmaceuticals, Intermediates & Fine Chemicals, Sulfur & Selenium Compounds
• Mol File: 807638-71-7.mol
• Article Data: 26

Chemical Properties

• Boiling Point: 718.6±60.0 °C(Predicted)
• Appearance: /
• Density: 1.293±0.06 g/cm3(Predicted)
• Solubility: DCM
• PKA: 14.46±0.29(Predicted)
• CAS DataBase Reference: 2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(Methanesulfonyl)oxy]propyl]phenyl]-2-propanol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(Methanesulfonyl)oxy]propyl]phenyl]-2-propanol(807638-71-7)
• EPA Substance Registry System: 2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(Methanesulfonyl)oxy]propyl]phenyl]-2-propanol(807638-71-7)

Safety Data

• Hazardous Substances Data: 807638-71-7(Hazardous Substances Data)

Usage

Uses

2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(methanesulfonyl)oxy]propyl]phenyl]-2-propanol is an intermediate in the synthesis of Montelukast (M568000), a selective leukotriene D4-receptor antagonist used as an antiasthmatic agent.

Upstream product

• 124-63-0 methanesulfonyl chloride 
• 287930-77-2 (S,E)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol 
• 181139-72-0 methyl-[(E)]-2-[3(S)-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl] benzoate 
• 149968-11-6 methyl 2-(3-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-oxopropyl)benzoate 
• 7143-01-3 Methanesulfonic anhydride 

Downstream Products

• 158966-92-8 montelukast 
• 855473-51-7 1-(((1(R)-(3-(2(E)-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropane acetic acid methyl ester 
• 866923-62-8 2-(1-((((R)-1-(3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)sulfanyl)methyl)cyclopropyl)acetonitrile 
• 866923-63-9 (R,E)-2-((1-((1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)sulfanyl)methyl)cyclopropyl)acetamide 
• 1187586-61-3 [R, E]-[[1-[3-[2-(7-chloro-2-quinolinyl)-2-(S)-[(carboxymethyl)cyclopropyl]methyl]thio]ethyl]phenyl]-3-[[[[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-cyclopropane acetic acid 
• 1187586-58-8 [R, E]-[[1-[3-[2-(7-chloro-2-quinolinyl)-2-(R)-[(carboxymethyl)cyclopropyl]methyl]thio]ethyl]phenyl]-3-[[[[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-cyclopropane acetic acid 
• 880769-26-6 1-(((1-(R)-(3-(2-(E)-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl) thio)methyl)cyclopropaneacetic acid dipropylamine salt 
• 151767-02-1 Montelukast sodium 
• 1197374-06-3 montelukast 1-methyl-3-phenylpropyl amine salt 
• 1380816-64-7 montelukast 1-(1-naphthyl)ethylamine salt 
• 168214-67-3 C₂₉H₂₆ClNO 
• 168214-68-4 2-[2-((E)-3-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-allyl)-phenyl]-propan-2-ol 
• 909849-96-3 [R,E]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl) ethenyl]-phenyl]-3-[2-(-hydroxy-1-methylethyl) phenyl]propyl]-sulfinyl] methyl] cyclopropaneacetic acid 
• 577953-88-9 1-(((1(R)-(3-(2-(7-chloro-2-quinolinil)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropane acetic acid dicyclohexylamine salt 

Relevant articles and documents

A synthesis process of montelukast sodium (by machine translation)

A synthesis process of montelukast sodium, relates to the field of drug synthesis, adopts a double hydroxy precursor of a sulfonyl derivative, and mercapto carboxylic acid compound, b cyclohexylamine in the reaction under the action of a catalyst, to obtain the ammonium salt, the quaternary ammonium salt is converted into the montelukast sodium. Compared with the direct synthesis of montelukast sodium, synthetic ammonium salt reaction not only conversion is higher, but also easy to separate, high purity, thus being beneficial to obtain high-purity of montelukast sodium. The synthesizing process of the synthetic route is simple, easy to operate, low requirements on equipment, can realize the large-scale production of montelukast sodium. (by machine translation)

METHOD FOR PRODUCING MONTELUKAST ALKYL ESTER

PROBLEM TO BE SOLVED: To provide a method for efficiently producing a high purity 1-(((1(R)-(3-(2-(7-chloro-2-quinonyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropane acetic acid alkyl ester having a reduced content of a specific impurity. SOLUTION: A specific amount of a weakly basic nitrogen-containing organic compound is made to exist in a reaction system in a reaction between 2(2-(3(S)-(3-(2-(7-chloro-2-quinonyl)ethenyl)phenyl)-3-methanesulfonyloxypropyl)phenyl)-2-propanol and 1-mercaptomethylcyclopropane acetic acid alkyl ester in the presence of a strong base. COPYRIGHT: (C)2015,JPO&INPIT

PROCESSES FOR PREPARATION OF MONTELUKAST SODIUM AND PURIFICATION OF DIOL INTERMEDIATE

A process for preparation of montelukast sodium through novel montelukast amine salts is provided, wherein the amine is selected from 1- (l-naphthyl)ethylamine, S-methyl-L-cysteine, diallylamine or isomers thereof. A process for purification of 2-(2-(3-(S)-(3-(7-chloro-2-quinolinyl)-ethenyl)phenyl)-3-hydroxylpropyl)-phenyl-2-propanol is also provided, which uses a halogenated hydrocarbon and a nitrile as solvent.