5-Acetyl-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile

Base Information

Chemical Name:5-Acetyl-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CAS No.:95050-67-2
Molecular Formula:C14H10N2O2
Molecular Weight:238.246
Hs Code.:
DSSTox Substance ID:DTXSID90543956
Nikkaji Number:J314.511E
Wikidata:Q82420926

Synonyms:95050-67-2;5-Acetyl-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile;SCHEMBL7379791;DTXSID90543956

Suppliers and Price of 5-Acetyl-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5-Acetyl-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:238.074227566
Heavy Atom Count:18
Complexity:499

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 5-Acetyl-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile

There total 7 articles about 5-Acetyl-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: 89.0%

: 129118-19-0
5-<(1-dimethylhydrazono)ethyl>-1,2-dihydro-2-oxo-6-phenyl-3-pyridinecarbonitrile

: 95050-67-2
5-acetyl-1,2-dihydro-2-oxo-6-phenyl-3-pyridinecarbonitrile

Guidance literature:: With hydrogenchloride; In tetrahydrofuran; Ambient temperature;
DOI:10.1002/jhet.5570270307

Reference yield:

: 6919-61-5
N-methoxy-N-methylbenzamide

: 95050-67-2
5-acetyl-1,2-dihydro-2-oxo-6-phenyl-3-pyridinecarbonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: 1) n-butyllithium / 1) tetrahydrofuran, -70 deg C, 1h, 2) tetrahydrofuran up to 0 deg C

2: 42 percent / 20 h / 95 °C

3: 53 percent / sodium hydride / paraffin; dimethylformamide / 13 h / 80 °C

4: 89 percent / aq. hydrochloric acid / tetrahydrofuran / Ambient temperature

With hydrogenchloride; n-butyllithium; sodium hydride; In tetrahydrofuran; N,N-dimethyl-formamide; paraffin;
DOI:10.1002/jhet.5570270307

Reference yield:

: 137919-59-6
(Z)-3-(2,2-dimethylhydrazinyl)-1-phenyl-but-2-en-1-one

: 95050-67-2
5-acetyl-1,2-dihydro-2-oxo-6-phenyl-3-pyridinecarbonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: 42 percent / 20 h / 95 °C

2: 53 percent / sodium hydride / paraffin; dimethylformamide / 13 h / 80 °C

3: 89 percent / aq. hydrochloric acid / tetrahydrofuran / Ambient temperature

With hydrogenchloride; sodium hydride; In tetrahydrofuran; N,N-dimethyl-formamide; paraffin;
DOI:10.1002/jhet.5570270307