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

Base Information

• Chemical Name: Ethyl 4-chloro-5-fluoro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
• CAS No.: 914358-80-8
• Molecular Formula: C₉H₉ClFNO₃
• Molecular Weight: 233.627
• DSSTox Substance ID: DTXSID90469723
• Wikidata: Q82297561
• Mol file: 914358-80-8.mol

Synonyms:914358-80-8;Ethyl 4-chloro-5-fluoro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate;ethyl 4-chloro-5-fluoro-1-methyl-6-oxopyridine-3-carboxylate;DTXSID90469723;AKOS015965536;Ethyl4-chloro-5-fluoro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate

Chemical Property of Ethyl 4-chloro-5-fluoro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate

Chemical Property:

• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 233.0254990
• Heavy Atom Count: 15
• Complexity: 376

Purity/Quality:

95+% ^*data from raw suppliers

Ethyl 4-chloro-5-fluoro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate 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)F)C

Technology Process of Ethyl 4-chloro-5-fluoro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate

There total 3 articles about Ethyl 4-chloro-5-fluoro-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:

ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate (821791-58-6) → ethyl 4-chloro-5-fluoro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate (914358-80-8)

Guidance literature:

With Selectfluor; In acetonitrile; at 85 ℃; for 1h;

DOI:10.1021/jm050834y

Reference yield:

ethyl 4-hydroxy-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate (853105-37-0) → ethyl 4-chloro-5-fluoro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate (914358-80-8)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃; Et₃N / 16 h

2: [1-chloromethyl-4-F-1,4-diazoniabicyclo[2.2.2]octane]*(BF₄)2 / acetonitrile / 1 h / 85 °C

With Selectfluor; triethylamine; trichlorophosphate; In acetonitrile;

DOI:10.1021/jm050834y

Reference yield:

diethyl 1,3-acetonedicarboxylate (105-50-0) → ethyl 4-chloro-5-fluoro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate (914358-80-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: Ac₂O / 1 h / 135 °C

1.2: 54 percent / H₂O / 16 h / 20 °C

2.1: POCl₃; Et₃N / 16 h

3.1: [1-chloromethyl-4-F-1,4-diazoniabicyclo[2.2.2]octane]*(BF₄)2 / acetonitrile / 1 h / 85 °C

With acetic anhydride; Selectfluor; triethylamine; trichlorophosphate; In acetonitrile;

DOI:10.1021/jm050834y

upstream raw materials:

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

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

diethyl 1,3-acetonedicarboxylate

Downstream raw materials:

4-(4-bromo-2-fluorophenylamino)-5-fluoro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid

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