7352-02-5

Basic information

• Product Name: ETHYL 2-CYANO-4-METHYLVALERATE
• Synonyms: ETHYL 2-CYANO-4-METHYLVALERATE;RARECHEM AL BS 0093;2-Cyano-4-methylvaleric acid ethyl ester;ethyl 2-cyano-4-methylpentanoate;ethyl 2-cyano-4-methyl-pentanoate
• CAS NO: 7352-02-5
• Molecular Formula: C₉H₁₅NO₂
• Molecular Weight: 169.22
• Mol File: 7352-02-5.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 212.1°C at 760 mmHg
• Flash Point: 88.9°C
• Appearance: /
• Density: 0.968g/cm³
• Vapor Pressure: 0.176mmHg at 25°C
• Refractive Index: 1.432
• CAS DataBase Reference: ETHYL 2-CYANO-4-METHYLVALERATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-CYANO-4-METHYLVALERATE(7352-02-5)
• EPA Substance Registry System: ETHYL 2-CYANO-4-METHYLVALERATE(7352-02-5)

Safety Data

• Hazardous Substances Data: 7352-02-5(Hazardous Substances Data)

Usage

General Description

ETHYL 2-CYANO-4-METHYLVALERATE is a chemical compound with the molecular formula C8H13NO2. It is commonly used as a synthetic intermediate in the production of pharmaceuticals and agrochemicals. With its distinctive structure and properties, this chemical is also commonly used in organic synthesis and as a reagent in various chemical reactions. It is a clear, colorless liquid with a fruity odor and is considered to be relatively stable under normal conditions. ETHYL 2-CYANO-4-METHYLVALERATE is also known by its CAS number 61158-05-8 and is subject to various regulations and standards governing its handling, transportation, and use in industrial processes.

InChI:InChI=1/C9H15NO2/c1-4-12-9(11)8(6-10)5-7(2)3/h7-8H,4-5H2,1-3H3

Upstream product

• 78-77-3 Isobutyl bromide 
• 105-56-6 ethyl 2-cyanoacetate 
• 868-47-3 (E)-ethyl 2-cyano-4-methylpent-2-enoate 
• 513-38-2 Isobutyl iodide 
• 871900-41-3 2-cyano-2-isobutyl-4-methyl-valeric acid 
• 141-52-6 sodium ethanolate 
• 75-03-6 ethyl iodide 
• 78-84-2 isobutyraldehyde 
• 18852-51-2 sodium cyanoacetic acid ethyl ester 

Downstream Products

• 4431-58-7 2-isobutyl-malonamic acid 
• 93341-04-9 2-isobutyl-malonamic acid ethyl ester 
• 18283-06-2 2-Ethoxycarbonimidoyl-2-fluoro-4-methyl-pentanoic acid ethyl ester 
• 18283-41-5 2-cyano-4-methylpentanoic acid 
• 18283-15-3 2-Cyano-2-fluoro-4-methyl-pentanoic acid ethyl ester 
• 6087-17-8 2-fluoro-4-methylpentanoic acid 
• 18283-38-0 2-Carbamoyl-2-fluoro-4-methyl-pentanoic acid 
• 18283-33-5 2-Fluoro-2-isobutyl-malonamide 
• 181289-39-4 (S)-3-cyano-5-methylhexanoic acid ethyl ester 
• 148553-50-8 pregabilin 
• 181289-16-7 racemic 3-cyano-5-methylhexanoic acid 
• 1445579-46-3 ethyl 2-cyano-2-(4-methoxyphenyl)-4-methylpentanoate 

Relevant articles and documents

Room Temperature, Reductive Alkylation of Activated Methylene Compounds: Carbon-Carbon Bond Formation Driven by the Rhodium-Catalyzed Water-Gas Shift Reaction

The rhodium-catalyzed water-gas shift reaction has been demonstrated to drive the reductive alkylation of several classes of activated methylene compounds at room temperature. Under catalysis by rhodium trichloride (2-3 mol %), carbon monoxide (10 bar), water (2-50 equiv), and triethylamine (2.5-7 equiv), the scope has been successfully expanded to cover a wide range of alkylating agents, including aliphatic and aromatic aldehydes, as well as cyclic ketones, in moderate to high yields. This method is comparable to, and for certain aspects, surpasses the established reductive alkylation protocols.

IMPROVED SYNTHESIS OF OPTICALLY PURE (S) - 3-CYANO-5-METHYL-HEXANOIC ACID ALKYL ESTER, AN INTERMEDIATE OF (S)- PREGABALIN

The present invention is directed towards synthesis of (S) - 3-cyano-5-methyl-hexanoic acid ethyl ester. A cost effective, eco-friendly process for preparation of enantiomerically pure (S)-3-cyano-5-methyl-hexanoic acid alkyl ester, intermediate of γ-amino acids, particularly (S)-pregabalin.