6-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

Base Information

• Chemical Name: 6-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
• CAS No.: 31755-80-3
• Molecular Formula: C12H7 F N2 O
• Molecular Weight: 214.199
• Hs Code.: 2933399090
• European Community (EC) Number: 809-110-0
• DSSTox Substance ID: DTXSID40377546
• Wikidata: Q82166800
• Mol file: 31755-80-3.mol

Synonyms:31755-80-3;6-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile;6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile;6-(4-fluorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile;6-(4-fluorophenyl)-2-hydroxynicotinonitrile;MFCD07801334;6-(4-Fluoro-phenyl)-2-hydroxy-nicotinonitrile;Oprea1_251035;SCHEMBL11737297;DTXSID40377546;PYJGVVJYSZCUCO-UHFFFAOYSA-N;AKOS002303420;AKOS002674068;SB55230;10H-405S;CS-0450947;FT-0679916;6-(4-fluorophenyl)-2-hydroxy-nicotinonitrile;E84771;A875819;6-(p-fluorophenyl)-1,2-dihydro-2-oxonicotinonitrile;6-(4-Fluorophenyl)-1,2-dihydro-2-oxopyridine-3-carbonitrile, AldrichCPR

Chemical Property of 6-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

Chemical Property:

• Melting Point: >300°
• PSA: 56.65000
• LogP: 2.05268
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 214.05424101
• Heavy Atom Count: 16
• Complexity: 408

Purity/Quality:

97% ^*data from raw suppliers

6-(4-fluorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C(=O)N2)C#N)F

Technology Process of 6-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

There total 3 articles about 6-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile 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:

3-(dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one (75175-77-8) + cyanoacetic acid amide (107-91-5) → 6-(p-fluorophenyl)-1,2-dihydro-2-oxonicotinonitrile (31755-80-3)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In ethanol; at 20 ℃; Reflux;

DOI:10.1016/j.bmcl.2014.01.075

Reference yield:

1-(4-fluorophenyl)ethanone (403-42-9) → 6-(p-fluorophenyl)-1,2-dihydro-2-oxonicotinonitrile (31755-80-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Reflux

2: 1,4-diaza-bicyclo[2.2.2]octane / ethanol / 20 °C / Reflux

With 1,4-diaza-bicyclo[2.2.2]octane; In ethanol;

DOI:10.1016/j.bmcl.2014.01.075

Reference yield:

→ 6-(p-fluorophenyl)-1,2-dihydro-2-oxonicotinonitrile (31755-80-3)

Guidance literature:

1-(4-Fluor-phenyl)-ethanon, 1.) Ameisensaeure-ethylester, Na-methylat/Ae., 2.) Cyanessigsaeureamid, Eg., Piperidin, erhitzen;

DOI:10.1021/jm00286a017

upstream raw materials:

3-(dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one

cyanoacetic acid amide

1-(4-fluorophenyl)ethanone

Downstream raw materials:

6-[4-(4-ethyl-piperazin-1-yl)-phenyl]-2-oxo-1,2-dihydro-pyridine-3-carbonitrile

6-[4-(octahydro-[1,4']bipyridinyl-1'-yl)-phenyl]-2-oxo-1,2-dihydro-pyridine-3-carbonitrile

6-[4-(4-cyclohexyl-piperazin-1-yl)-phenyl]-2-oxo-1,2-dihydro-pyridine-3-carbonitrile

6-[4-(4-benzyl-piperazin-1-yl)-phenyl]-2-oxo-1,2-dihydro-pyridine-3-carbonitrile

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