Propanoic acid, 3-cyano-2-oxo-, ethyl ester

Base Information

• Chemical Name: Propanoic acid, 3-cyano-2-oxo-, ethyl ester
• CAS No.: 56290-86-9
• Molecular Formula: C6H7NO3
• Molecular Weight: 141.126
• Hs Code.: 2926909090
• Mol file: 56290-86-9.mol

Synonyms:Formic acid,cyano-,ethyl ester;ethyl cyano-formate;Carbonocyanidic acid,ethyl ester;Ethyl carbonocyanidoate;3-Cyan-2-oxo-propionsaeure-aethylester;3-Cyano-2-oxo-propionic acid ethyl ester;ethyl cyanopyruvate;Cyanoformic Acid Ethyl Ester;[(Cyanocarbonyl)oxy]ethane;ethylcyanidocarbonat;

Chemical Property of Propanoic acid, 3-cyano-2-oxo-, ethyl ester

Chemical Property:

• Boiling Point: 241.2±23.0 °C(Predicted)
• PKA: 4.78±0.10(Predicted)
• PSA: 67.16000
• Density: 1.160±0.06 g/cm3(Predicted)
• LogP: 0.03228

Purity/Quality:

97% ^*data from raw suppliers

3-Cyano-2-oxo-propionicacidethylester 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Propanoic acid, 3-cyano-2-oxo-, ethyl ester

There total 2 articles about Propanoic acid, 3-cyano-2-oxo-, ethyl ester 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: 68.0%

→ 3-cyano-2-oxo-propanoic acid ethyl ester (56290-86-9)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

In tetrahydrofuran; at -78 - 20 ℃; for 1h; Inert atmosphere;

Reference yield:

oxalic acid diethyl ester (95-92-1) + acetonitrile (75-05-8,26809-02-9) → 3-cyano-2-oxo-propanoic acid ethyl ester (56290-86-9)

Guidance literature:

DOI:10.1002/hlca.19480310226

Reference yield: 66.0%

3-cyano-2-oxo-propanoic acid ethyl ester (56290-86-9) + methyldiazene (22038-72-8,26981-93-1,51943-20-5) → ethyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate (70500-80-0)

Guidance literature:

methyldiazene; With sulfuric acid; In methanol; at 0 - 25 ℃; for 0.5h;

3-cyano-2-oxo-propanoic acid ethyl ester; In methanol; at 25 ℃; for 20.5h;

upstream raw materials:

oxalic acid diethyl ester

acetonitrile

Downstream raw materials:

3-cyano-2-oxo-3-phenylhydrazono-propionic acid ethyl ester

oxalic acid

ethyl imidazo<1,2-b>pyrazole-6-carboxylate

Ethyl 5-amino-1-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylate