ETHYL 2-CYANO-4-METHYLVALERATE

Base Information

• Chemical Name: ETHYL 2-CYANO-4-METHYLVALERATE
• CAS No.: 7352-02-5
• Molecular Formula: C9H15 N O2
• Molecular Weight: 169.224
• Mol file: 7352-02-5.mol

Synonyms:Valericacid, 2-cyano-4-methyl-, ethyl ester (6CI,7CI,8CI); Ethyl2-cyano-4-methylpentanoate; NSC 79191

Chemical Property of ETHYL 2-CYANO-4-METHYLVALERATE

Chemical Property:

• Vapor Pressure: 0.176mmHg at 25°C
• Boiling Point: 212.1°C at 760 mmHg
• Flash Point: 88.9°C
• PSA: 50.09000
• Density: 0.968g/cm³
• LogP: 1.73538

Purity/Quality:

99%min ^*data from raw suppliers

ETHYL 2-CYANO-4-METHYLPENTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ETHYL 2-CYANO-4-METHYLVALERATE

There total 13 articles about ETHYL 2-CYANO-4-METHYLVALERATE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

isobutyraldehyde (78-84-2) + ethyl 2-cyanoacetate (105-56-6) → ethyl 2-cyano-4-methylpentanoate (7352-02-5)

Guidance literature:

isobutyraldehyde; ethyl 2-cyanoacetate; With piperidine; acetic acid; In 1,2-dimethoxyethane; at 20 ℃;

With hydrogen; palladium 10% on activated carbon; In 1,2-dimethoxyethane; under 2206.72 Torr; Product distribution / selectivity; Parr autoclave;

Reference yield: 40.0%

Isobutyl bromide (78-77-3) + ethyl 2-cyanoacetate (105-56-6) → ethyl 2-cyano-4-methylpentanoate (7352-02-5)

Guidance literature:

ethyl 2-cyanoacetate; With sodium hydride; In paraffin oil (nujol); N,N-dimethyl-formamide; at 10 - 50 ℃; Inert atmosphere;

Isobutyl bromide; In paraffin oil (nujol); at 20 ℃; Product distribution / selectivity; Inert atmosphere;

Reference yield:

(E)-ethyl 2-cyano-4-methylpent-2-enoate (868-47-3,125027-35-2,93222-76-5) → ethyl 2-cyano-4-methylpentanoate (7352-02-5)

Guidance literature:

With hydrogen; hydrotalcite-supported palladium nanoparticles; palladium; In toluene; at 60 ℃; for 1h; under 760 Torr;

DOI:10.1002/chem.200600317

upstream raw materials:

Isobutyl iodide

sodium cyanoacetic acid ethyl ester

isobutyraldehyde

ethyl 2-cyanoacetate

Downstream raw materials:

2-isobutyl-malonamic acid

2-isobutyl-malonamic acid ethyl ester

2-Ethoxycarbonimidoyl-2-fluoro-4-methyl-pentanoic acid ethyl ester

2-cyano-4-methylpentanoic acid

Refernces

• 1、 -. "PROCESS FOR SYNTHESIS OF (S) - PREGABALIN". Page/Page column 32-33. . Retrieved 2012/05/20.
• 2、 Motokura, Ken,Fujita, Noriaki,Mori, Kohsuke,Mizugaki, Tomoo,Ebitani, Kohki,Jitsukawa, Koichiro,Kaneda, Kiyotomi. "Environmentally friendly one-pot synthesis of α-alkylated nitriles using hydrotalcite-supported metal species as multifunctional solid catalysts". . p. 8228 - 8239. Retrieved 2007/10/03.