1310495-04-5

Basic information

• Product Name: (S)-3-(aminomethyl)-5-methyl-N-((S)-1-phenylethyl)hexanamide
• Synonyms: (S)-3-(aminomethyl)-5-methyl-N-((S)-1-phenylethyl)hexanamide
• CAS NO: 1310495-04-5
• Molecular Weight: 262.395
• Mol File: 1310495-04-5.mol

Chemical Properties

• CAS DataBase Reference: (S)-3-(aminomethyl)-5-methyl-N-((S)-1-phenylethyl)hexanamide(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-3-(aminomethyl)-5-methyl-N-((S)-1-phenylethyl)hexanamide(1310495-04-5)
• EPA Substance Registry System: (S)-3-(aminomethyl)-5-methyl-N-((S)-1-phenylethyl)hexanamide(1310495-04-5)

Safety Data

• Hazardous Substances Data: 1310495-04-5(Hazardous Substances Data)

Upstream product

• 2627-86-3 (S)-1-phenyl-ethylamine 
• 668999-96-0 (S)-ethyl 3-oxo-3-(1-phenylethylamino)propanoate 
• 34993-63-0 5-methyl-2-hexenoic acid ethyl ester 
• 1310495-01-2 3-isobutyl-4-((S)-1-phenylethylcarbamoyl)pentanedioic acid diethyl ester 
• 1310495-06-7 ethyl 3-[2,2-dimethyl-4,6-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazinan-5-yl]-5-methyl-hexanoate 
• 1310495-05-6 2,2-dimethyl-3-[(1S)-1-phenylethyl]-1,3-oxazinane-4,6-dione 
• 1310495-03-4 (S)-3-(2-hydrazinyl-2-oxoethyl)-5-methyl-N-((S)-1-phenylethyl) hexanamide 
• 1310495-02-3 (S)-ethyl 5-methyl-3-[2-oxo-2-((S)-1-phenylethylamino)ethyl] hexanoate 
• 75143-89-4 5-methyl-3-carboxymethylhexanoic acid 
• 916982-10-0 3-isobutylglutarimide 
• 930280-43-6 (R)-3-isobutylpentanedioic acid amide-((S)-1-phenylethyl)amide 

Downstream Products

• 148553-50-8 pregabilin 

Relevant articles and documents

Method for asymmetric preparation of (S)-3-aminomethyl-5-methylcaproic acid

The invention discloses a method for asymmetric preparation of (S)-3-aminomethyl-5-methylcaproic acid. The method is characterized by comprising the following four synthesis steps: with 3-isobutylglutaric acid as a raw material, subjecting 3-isobutylglutaric acid and a nitrogen-containing reagent to a ring-closure reaction; subjecting a reaction product and (S)-(+)-1-phenylethylamine to asymmetricring opening; carrying out Huffman rearrangement; and then carrying out amide hydrolysis so as to obtain (S)-3-aminomethyl-5-methylcaproic acid. Compared with the prior art, the method provided by the invention has the advantages of usage of cheap and easily available raw materials, short reaction steps, mild reaction conditions, and no usage of reagents easily leading to poisoning and explosion;the overall yield of method is as high as 72%; the purity of the product pregabalin is greater than 99%, and an ee value is greater than 99%; and the method has good application prospects in industrial large-scale production.

PROCESSES FOR THE PREPARATION OF (S)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID

Novel hexanoic acid and novel tetrahydrooxazindione compounds are disclosed as intermediates for preparation of (S)-Pregabalin of formula (I). A novel synthetic method to prepare (S)-Pregabalin using the said intermediates is also disclosed.