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

Base Information

• Chemical Name: 1-Ethyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid
• CAS No.: 6317-46-0
• Molecular Formula: C₉H₉NO₅
• Molecular Weight: 211.174
• Hs Code.: 2933399090
• NSC Number: 41715
• DSSTox Substance ID: DTXSID00285416
• Wikidata: Q82020779
• Mol file: 6317-46-0.mol

Synonyms:6317-46-0;1-ethyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid;NSC41715;SCHEMBL8330002;DTXSID00285416;NSC-41715

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

Chemical Property:

• Vapor Pressure: 1.95E-07mmHg at 25°C
• Melting Point: 196-198 °C
• Boiling Point: 397.7°C at 760 mmHg
• PKA: 0.46±0.40(Predicted)
• Flash Point: 194.3°C
• PSA: 96.60000
• Density: 1.522g/cm³
• LogP: 0.26460
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 211.04807239
• Heavy Atom Count: 15
• Complexity: 359

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=CC(=O)C=C1C(=O)O)C(=O)O

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

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

Chelidamic acid (499-51-4) → 1-ethyl-4-oxo-1,4-dihydro-pyridine-2,6-dicarboxylic acid (6317-46-0)

Guidance literature:

With water; ethylamine; pH 8;

DOI:10.1021/ja01596a040

Reference yield:

chelidonic acid (99-32-1) → 1-ethyl-4-oxo-1,4-dihydro-pyridine-2,6-dicarboxylic acid (6317-46-0)

Guidance literature:

With ethylamine;

DOI:10.1021/jo01101a025

Reference yield:

1-ethyl-4-oxo-1,4-dihydro-pyridine-2,6-dicarboxylic acid (6317-46-0) → 4-chloro-2,6-pyridinedicarboxylic acid (4722-94-5)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂

2: H₂O

With thionyl chloride; water;

DOI:10.1021/jo01101a025

upstream raw materials:

chelidonic acid

Chelidamic acid

Downstream raw materials:

4,6-dichloro-pyridine-2-carbonyl chloride

4-chloropyridine-2,6-dicarbonyl dichloride

4,6-dichloro-2-pyridinecarboxylic acid

4-chloro-2,6-pyridinedicarboxylic acid