2-Oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile

Base Information

• Chemical Name: 2-Oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
• CAS No.: 43083-13-2
• Molecular Formula: C12H8 N2 O
• Molecular Weight: 196.208
• Hs Code.: 2933399090
• European Community (EC) Number: 809-371-0
• NSC Number: 91858
• DSSTox Substance ID: DTXSID30293746
• Nikkaji Number: J1.226.587E
• Wikidata: Q82032670
• Mol file: 43083-13-2.mol

Synonyms:43083-13-2;2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile;2-oxo-6-phenyl-1H-pyridine-3-carbonitrile;2-Oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile;2-hydroxy-6-phenylpyridine-3-carbonitrile;2-hydroxy-6-phenylnicotinonitrile;3-Cyano-2-hydroxy-6-phenylpyridine;NSC91858;3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-6-phenyl-;Cambridge id 5690603;Oprea1_462017;Oprea1_714739;SCHEMBL4474609;DTXSID30293746;HMS1582G08;BBL028385;MFCD00202791;NSC 91858;NSC-91858;STK003282;STL377951;AKOS000276329;AKOS005260031;9H-434S;SB55256;CS-0258553;FT-0680719;EN300-70502;A872761;AE-842/30159009;J-510221;2-Hydroxy-6-phenylpyridine-3-carbonitrile AldrichCPR;2-Hydroxy-6-phenylpyridine-3-carbonitrile, AldrichCPR;2-Oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile #;F3305-0595;Z234485064;2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile, AldrichCPR

Chemical Property of 2-Oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile

Chemical Property:

• Vapor Pressure: 7.74E-08mmHg at 25°C
• Melting Point: 353-355oC
• Boiling Point: 437°Cat760mmHg
• PKA: 7.73±0.10(Predicted)
• Flash Point: 218.1°C
• PSA: 56.65000
• Density: 1.26g/cm³
• LogP: 1.91358
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 196.063662883
• Heavy Atom Count: 15
• Complexity: 378

Purity/Quality:

97% ^*data from raw suppliers

2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C(=O)N2)C#N

Technology Process of 2-Oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile

There total 13 articles about 2-Oxo-6-phenyl-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: 92.0%

2-cyano-5-dimethylamino-5-phenylpenta-2,4-dienoic acid amide (54818-68-7) → 1,2-dihydro-2-oxo-6-phenylpyridine-3-carbonitrile (43083-13-2)

Guidance literature:

With water; sodium acetate; for 0.5h; Reflux;

DOI:10.3390/molecules14010068

Reference yield: 75.0%

(E)-3-(N,N-dimethylamino)-1-phenyl-2-propen-1-one (1131-80-2,1201-93-0,31919-75-2) + cyanoacetic acid amide (107-91-5) → 1,2-dihydro-2-oxo-6-phenylpyridine-3-carbonitrile (43083-13-2)

Guidance literature:

With sodium ethanolate; In ethanol; for 3h; Heating;

Reference yield: 73.0%

acetophenone (98-86-2) + cyanoacetic acid amide (107-91-5) + formic acid ethyl ester (109-94-4) → 1,2-dihydro-2-oxo-6-phenylpyridine-3-carbonitrile (43083-13-2)

Guidance literature:

acetophenone; formic acid ethyl ester; With sodium methylate; In tetrahydrofuran; diethyl ether; at 40 ℃; for 3h;

cyanoacetic acid amide; With acetic acid; In water; at 90 ℃; for 16h; pH=9;

DOI:10.1039/d1cc03624f

upstream raw materials:

benzoylacetaldehyde sodium salt

acetophenone

cyanoacetic acid amide

formic acid ethyl ester

Downstream raw materials:

1-Methyl-2-oxo-6-phenyl-1,2-dihydro-pyridine-3-carbonitrile

2-methoxy-6-phenylpyridine-3-carbonitrile

6-phenyl-2-hydroxypyridine-3-carboxylic acid

2-chloro-3-cyano-6-phenylpyridine