6-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid

Base Information

• Chemical Name: 6-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
• CAS No.: 54881-17-3
• Molecular Formula: C8H9NO3
• Molecular Weight: 167.164
• Hs Code.: 2933399090
• European Community (EC) Number: 307-446-8,842-348-3
• DSSTox Substance ID: DTXSID20913749
• Nikkaji Number: J58.009K
• Wikidata: Q82884419
• Mol file: 54881-17-3.mol

Synonyms:54881-17-3;6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid;6-ethyl-2-oxo-1,2-dihydro-4-pyridinecarboxylic acid;2-ethyl-6-hydroxypyridine-4-carboxylic acid;2-ethyl-6-oxo-1H-pyridine-4-carboxylic acid;6-ethyl-2-oxo-1,2-dihydro-pyridine-4-carboxylic acid;97659-42-2;MFCD11226364;2-Ethyldihydro-6-oxoisonicotinic acid;SCHEMBL56627;DTXSID20913749;QTGMQKBCDNYHSK-UHFFFAOYSA-N;EINECS 307-446-8;AKOS005256495;AKOS017405883;BS-40316;EN300-127507;6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylicacid;Z1198320047

Chemical Property of 6-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid

Chemical Property:

• Melting Point: >286°C (dec.)
• PSA: 70.42000
• LogP: 1.04780
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=CC(=O)N1)C(=O)O

Technology Process of 6-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid

There total 2 articles about 6-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid 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:

6-ethyl-3-cyano-2-hydroxy-isonicotinic acid ethyl ester (31718-05-5) → 2-ethyl-6-hydroxy-isonicotinic acid (54881-17-3)

Guidance literature:

With hydrogenchloride;

DOI:10.1093/japr/11.3.304

Reference yield:

ethyl-2,4-dioxohexanoate (13246-52-1) → 2-ethyl-6-hydroxy-isonicotinic acid (54881-17-3)

Guidance literature:

Multi-step reaction with 2 steps

1: piperidine; ethanol / 60 °C

2: concentrated aqueous HCl

With piperidine; hydrogenchloride; ethanol;

DOI:10.1093/japr/11.3.304

Reference yield:

6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid (54881-17-3) → 2-chloro-6-ethylpyridine-4-carboxylic acid (54881-18-4)

Guidance literature:

With trichlorophosphate; at 100 ℃; for 1h;

upstream raw materials:

6-ethyl-3-cyano-2-hydroxy-isonicotinic acid ethyl ester

ethyl-2,4-dioxohexanoate

Downstream raw materials:

2-chloro-6-ethylpyridine-4-carboxylic acid

2-ethyl-6-chloro-isonicotinic acid ethyl ester

2-ethyl-isonicotinic acid hydrazide

ethyl 2-ethylisonicotinate