Ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate

Base Information

• Chemical Name: Ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
• CAS No.: 821791-58-6
• Molecular Formula: C₉H₁₀ClNO₃
• Molecular Weight: 215.636
• ChEMBL ID: CHEMBL4166955
• DSSTox Substance ID: DTXSID00469491
• Wikidata: Q82297244
• Mol file: 821791-58-6.mol

Synonyms:821791-58-6;Ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate;ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate;4-Chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid ethyl ester;4-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid ethyl ester;ethyl 4-chloro-1-methyl-6-oxopyridine-3-carboxylate;CHEMBL4166955;MFCD08234670;Ethyl4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate;Ethyl 4-Chloranyl-1-Methyl-6-Oxidanylidene-Pyridine-3-Carboxylate;ETHYL 4-CHLORO-1-METHYL-6-OXO-DIHYDROPYRIDINE-3-CARBOXYLATE;7MX;4-Chloro-1-methyl-6-oxo-1,6-dihydro;ethyl 4-chloro-1,6-dihydro-1-Methyl-6-oxopyridine-3-carboxylate;SCHEMBL392754;DTXSID00469491;WGSWOEOJYNQPRP-UHFFFAOYSA-N;AMY16181;BCP14950;WHB79158;BDBM50277360;AKOS005073541;LD-0740;SY112455;CS-0012583;FT-0681697;FT-0733943;A864448;J-520980;Ethyl 4-chloro-1-methyl-6-oxo-1 pound not6-dihydropyridine-3-carboxylate

Chemical Property of Ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.544
• Boiling Point: 302.366°C at 760 mmHg
• PKA: -3.05±0.62(Predicted)
• Flash Point: 136.666°C
• PSA: 48.30000
• Density: 1.316g/cm³
• LogP: 1.21540
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 215.0349209
• Heavy Atom Count: 14
• Complexity: 333

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CN(C(=O)C=C1Cl)C

Technology Process of Ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate

There total 5 articles about Ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate 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: 85.0%

ethyl 4,6-dichloronicotinate (40296-46-6) + dimethyl sulfate (77-78-1) → ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate (821791-58-6)

Guidance literature:

ethyl 4,6-dichloronicotinate; dimethyl sulfate; at 120 ℃; for 5h;

With sodium hydrogencarbonate; In acetonitrile; at 20 ℃; for 18h; Further stages.;

DOI:10.1021/jm0704548

Reference yield: 60.0%

ethyl 4-hydroxy-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate (853105-37-0) → ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate (821791-58-6)

Guidance literature:

With triethylamine; trichlorophosphate; at 50 ℃; for 3h;

Reference yield:

ethyl 4-chloro-6-oxo-1,6-dihydropyridine-3-carboxylate + methyl iodide (74-88-4) → ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate (821791-58-6)

Guidance literature:

ethyl 4-chloro-6-oxo-1,6-dihydropyridine-3-carboxylate; With sodium hydride; In N,N-dimethyl acetamide; at 0 - 25 ℃; for 0.5h;

methyl iodide; In N,N-dimethyl acetamide; at 0 - 25 ℃; for 2h;

upstream raw materials:

ethyl 4-hydroxy-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate

ethyl 4,6-dichloronicotinate

dimethyl sulfate

diethyl 1,3-acetonedicarboxylate

Downstream raw materials:

4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid

ethyl 4,5-dichloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate

ethyl 4-chloro-5-fluoro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate

4-(4-bromo-2-fluorophenylamino)-1-methyl-6-oxo-N-(2-(vinyloxy)ethoxy)-1,6-dihydropyridine-3-carboxamide