181289-25-8

Basic information

• Product Name: (3S)-3-(2-methoxy-2-oxoethyl)-5-methylhexanoic acid
• Synonyms: (3S)-3-(2-methoxy-2-oxoethyl)-5-methylhexanoic acid
• CAS NO: 181289-25-8
• Molecular Weight: 202.251
• Mol File: 181289-25-8.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: (3S)-3-(2-methoxy-2-oxoethyl)-5-methylhexanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (3S)-3-(2-methoxy-2-oxoethyl)-5-methylhexanoic acid(181289-25-8)
• EPA Substance Registry System: (3S)-3-(2-methoxy-2-oxoethyl)-5-methylhexanoic acid(181289-25-8)

Safety Data

• Hazardous Substances Data: 181289-25-8(Hazardous Substances Data)

Usage

Uses

(3S)?-3-?(2-Methylpropyl)?-pentanedioic Acid 1-Methyl Ester (Pregabalin Impurity 17) is an impurity of Pregabalin (P704800), a GABA analogue used as an anticonvulsant.

Upstream product

• 185815-56-9 2,4-dicyano-3-isobutylglutaramide 
• 590-86-3 isovaleraldehyde 
• 75143-89-4 5-methyl-3-carboxymethylhexanoic acid 
• 145328-03-6 1,5-dimethy 3-isobutylpentanedioate 
• 67-56-1 methanol 
• 185815-59-2 3-isobutylglutaric anhydride 

Downstream Products

• 181289-33-8 (3R)‐3‐(carbamoylmethyl)‐5‐methylhexanoic acid 
• 181289-34-9 (S)?3?carbamoylmethyl?5?methylhexanoic acid 
• 1434278-53-1 (R)-methyl 3-((benzyloxycarbonylamino)methyl)-5-methylhexanoate 
• 1434278-54-2 (R)-3-((benzyloxycarbonylamino)methyl)-5-methylhexanoic acid 
• 148553-50-8 pregabilin 

Relevant articles and documents

Preparation method and application of high-purity dimethyl 3-isobutylglutarate

The invention provides a preparation method and application of high-purity dimethyl 3-isobutylglutarate. Specifically, the invention provides the method for preparing dimethyl 3-isobutylglutarate shown as a formula 2, and the method comprises the step of enabling 3-isobutylglutaric acid to react in methanol in the presence of potassium permanganate and concentrated sulfuric acid, so as to obtain the high-purity dimethyl 3-isobutylglutarate. The method is simple, easy to control, high in product conversion rate, mild in reaction condition, convenient for industrial production and low in cost, the product is easy to purify, and the purity is up to 99% or above.

CAL-B catalyzed desymmetrization of 3-alkylglutarate: "olefin effect" and asymmetric synthesis of pregabalin

CAL-B catalyzed desymmetrization of prochiral 3-alkylglutaric acid diesters was performed to prepare optically active 3-alkylglutaric acid monoesters bearing various alkyl substituents, including methyl, ethyl, propyl and allyl groups. Allyl esters showed

A process for the preparation of a (S)(+)-3-(aminomethyl)-5-methylhexanoic acid

A process for the preparation of (S)(+)-3-(aminomethyl)-5-methylhexanoic acid (pregabalin) of formula (I) or a salt thereof, comprising the reaction of a compound of formula (II) with an alcohol ROH, in the presence or absence of enzyme, to give a compound of formula (III) as herein defined the transformation of a compound of formula (III) into a compound of formula (VI) or (VIII) as herein defined, and the subsequent hydrolysis of a compound of formula (VI) or (VIII), to give pregabalin.