130912-52-6

Basic information

• Product Name: 3-(Aminomethyl)-5-methylhexanoic acid
• Synonyms: 3-(Aminomethyl)-5-methylhexanoic acid;(+/-)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID 98.0%
• CAS NO: 130912-52-6
• Molecular Formula: C₈H₁₇NO₂
• Molecular Weight: 159.23
• Product Categories: intermidiate of Pregablin
• Mol File: 130912-52-6.mol
• Article Data: 47

Chemical Properties

• Melting Point: 148-150oC
• Boiling Point: 274 °C at 760 mmHg
• Flash Point: 119.5 °C
• Appearance: /
• Density: 0.997 g/cm³
• CAS DataBase Reference: 3-(Aminomethyl)-5-methylhexanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(Aminomethyl)-5-methylhexanoic acid(130912-52-6)
• EPA Substance Registry System: 3-(Aminomethyl)-5-methylhexanoic acid(130912-52-6)

Safety Data

• Hazardous Substances Data: 130912-52-6(Hazardous Substances Data)

Usage

General Description

3-(Aminomethyl)-5-methylhexanoic acid, also known as Pregabalin, is a chemical compound widely used as a medication. It's primarily used to treat conditions such as epilepsy, fibromyalgia, neuropathic pain, and generalized anxiety disorder. Its chemical formula is C8H17NO2 and it's often sold under the brand name Lyrica. Structurally, it is similar to the neurotransmitter GABA but does not act on the same brain receptors. It is understood to work by binding to a subunit of the voltage-dependent calcium channel in the central nervous system, which aids in decreasing the release of several neurotransmitters including glutamate, norepinephrine, and substance P.

InChI:InChI=1/C8H17NO2.H2O/c1-6(2)3-7(5-9)4-8(10)11;/h6-7H,3-5,9H2,1-2H3,(H,10,11);1H2

Upstream product

• 53618-21-6 dimethyl 2-(3-methylbutylidene)malonate 
• 1620757-97-2 (±)-dimethyl 2-(1-((tert-butoxycarbonyl)amino)-4-methylpentan-2-yl)malonate 
• 871577-75-2 (±)-4-isobutyl-2-oxopyrrolidine-3-carboxylic acid 
• 1058692-72-0 2,2-dimethyl-5-[3'-methyl-1'-(nitromethyl)butyl]-1,3-dioxane-4,6-dione 
• 93498-13-6 2,2-dimethyl-5-(3'-methylbutylidene)-1,3-dioxane-4,6-dione 
• 100401-40-9 methyl 2-carbomethoxy-4-nitro-3-(2-methylpropyl)butyrate 
• 1198320-89-6 methyl 4-isobutyl-2-oxopyrrolidine-3-carboxylate 
• 916982-10-0 3-isobutylglutarimide 
• 350801-68-2 3-cyano-5-methyl-hex-3-enoic acid ethyl ester 
• 1126426-26-3 4-isobutyl-2-oxo-pyrrolidin-3-carboxylic acid ethyl ester 
• 1126426-25-2 5-methyl-(2-ethylcarboxy)-3-nitromethylhexanoic acid ethyl ester 
• 74611-85-1 4-methyl-1-nitropent-1-ene 
• 186038-82-4 2-ethoxycarbonyl-3-cyano-5-methylhexanoic acid ethyl ester 
• 724773-54-0 2-cyano-5-methylhex-2-enoic acid methyl ester 

Downstream Products

• 148553-50-8 pregabilin 
• 1026095-29-3 C₈H₈O₃*C₈H₁₇NO₂ 
• 1136499-07-4 (S)-(+)-3-aminomethyl-5-methylhexanoic acid di-(O,O')-p-toluoyl-D-tartaric acid salt 
• 1136499-06-3 (R)-(-)-3-aminomethyl-5-methylhexanoic acid (-)-(O,O')-di-p-toluoyl-D-tartaric acid salt 
• 1136478-30-2 3-(aminomethyl)-5-methylhex-5-enoic acid 
• 216576-74-8 3-(aminomethyl)-5-methylhex-4-enoic acid 
• 61312-87-6 4-(2-methylpropyl)pyrrolidin-2-one 
• 1166837-39-3 C₈H₁₇NO₂*C₁₃H₁₅NO₅ 
• 1165869-58-8 C₈H₁₇NO₂*C₁₁H₁₃NO₆S 
• 1165869-53-3 C₈H₁₇NO₂*C₁₂H₁₃NO₅ 
• 1165869-61-3 C₈H₁₇NO₂*C₁₂H₁₅NO₆S 
• 185815-62-7 (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid (S)-mandelate 
• 1078737-39-9 (S)-pregabalin-(-)-O,O'-dibenzoyl-L-tartrate 

Relevant articles and documents

PROCESS FOR THE PREPARATION OF GAMMA AMINO BUTYRIC ACIDS AND ANALOGS THEREOF

The present invention relates to a process for the preparation of gamma aminobutyric acid derivatives of formula I, in particular pregabalin, baclofen and analogs thereof. Further, this process is comprised of preparation protocol for compounds of formula I, involving Michael addition and Beckmann rearrangement strategy.

Preparation method of pregabalin

The invention discloses a preparation method of pregabalin, and particularly discloses a synthesis method of pregabalin, and relates to a compound shown as a formula I shown in the specification.

Method for preparing 3-aminomethyl-5-methylcaproic acid

The invention relates to a method for preparing 3-aminomethyl-5-methylcaproic acid, belonging to the technical field of chemistry. According to the preparation method, 3-methyl formate-5-methylhexanoic acid is used as a raw material, and the target product 3-aminomethyl-5-methylcaproic acid can be prepared through two steps of reactions including ammonia ester exchange and reduction. The method has the beneficial effects of simple process route, high product purity of 99.0% or above, less three wastes, no toxic agent, mild reaction conditions and low cost, and is suitable for industrial production.