ETHYL 3-CYANO-2-HYDROXY-6-METHYLISONICOTINATE

Base Information

• Chemical Name: ETHYL 3-CYANO-2-HYDROXY-6-METHYLISONICOTINATE
• CAS No.: 18619-97-1
• Molecular Formula: C₁₀H₁₀N₂O₃
• Molecular Weight: 206.201
• Hs Code.: 2933399090
• Mol file: 18619-97-1.mol

Synonyms:Isonicotinicacid, 3-cyano-1,2-dihydro-6-methyl-2-oxo-, ethyl ester (6CI,7CI,8CI); 3-Cyano-4-ethoxycarbonyl-2-hydroxy-6-methylpyridine;NSC 17505

Chemical Property of ETHYL 3-CYANO-2-HYDROXY-6-METHYLISONICOTINATE

Chemical Property:

• Vapor Pressure: 1.02E-05mmHg at 25°C
• Melting Point: 219 °C
• Boiling Point: 371.6°Cat760mmHg
• PKA: 8.09±0.10(Predicted)
• Flash Point: 178.6°C
• PSA: 83.21000
• Density: 1.26g/cm³
• LogP: 1.14398
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-Cyano-2-hydroxy-6-methylisonicotinate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ETHYL 3-CYANO-2-HYDROXY-6-METHYLISONICOTINATE

There total 8 articles about ETHYL 3-CYANO-2-HYDROXY-6-METHYLISONICOTINATE 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%

oxalic acid diethyl ester (95-92-1) + acetone (67-64-1) + cyanoacetic acid amide (107-91-5) → 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid ethyl ester (18619-97-1)

Guidance literature:

oxalic acid diethyl ester; acetone; With sodium ethanolate; In ethanol; at 20 ℃; Inert atmosphere;

cyanoacetic acid amide; In ethanol; at 80 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.tet.2009.06.111

Reference yield: 66.0%

ethyl 2,4-diketopentanoate (615-79-2) + cyanoacetic acid amide (107-91-5) → ethyl 3-cyano-2-hydroxy-6-methylisonicotinate (18619-97-1)

Guidance literature:

With diethylamine; In ethanol; at 60 ℃;

DOI:10.1021/op200326s

Reference yield: 51.2%

ethyl 2,4-diketopentanoate (615-79-2) + cyanoacetic acid amide (107-91-5) → 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid ethyl ester (18619-97-1)

Guidance literature:

With piperidine; In ethanol; at 65 ℃; for 5h;

upstream raw materials:

ethyl 2,4-diketopentanoate

cyanoacetic acid amide

ethyl acetoacetate

oxalic acid diethyl ester

Downstream raw materials:

2-hydroxy-6-methylpyridine-4-carboxylic acid

3-cyano-2-hydroxy-6-methyl-isonicotinic acid amide

ethyl 2-chloro-3-cyano-6-methyl-4-pyridine carboxylate

3-cyano-2-hydroxy-6-methyl-5-nitro-isonicotinic acid ethyl ester