2-Acetylisonicotinonitrile

Base Information

• Chemical Name: 2-Acetylisonicotinonitrile
• CAS No.: 37398-49-5
• Molecular Formula: C8H6N2O
• Molecular Weight: 146.148
• Hs Code.: 2933399090
• European Community (EC) Number: 853-419-3
• DSSTox Substance ID: DTXSID30440258
• Wikidata: Q82256522
• Mol file: 37398-49-5.mol

Synonyms:2-Acetylisonicotinonitrile;37398-49-5;2-acetylpyridine-4-carbonitrile;2-ACETYL-ISONICOTINONITRILE;2-ACETYL-4-PYRIDINECARBONITRILE;2-Acetyl-4-cyanopyridine;4-PYRIDINECARBONITRILE, 2-ACETYL-;SCHEMBL1853358;DTXSID30440258;WISLYNBDMYWHNF-UHFFFAOYSA-N;MFCD07357443;AKOS006285304;AB30645;DS-5072;CS-0186528;3-AMINO-3-ANTHRACEN-9-YL-PROPIONICACID;EN300-378451;A874121;J-400230;Z1198171805

Chemical Property of 2-Acetylisonicotinonitrile

Chemical Property:

• Vapor Pressure: 0.01mmHg at 25°C
• Refractive Index: 1.539
• Boiling Point: 263.538 °C at 760 mmHg
• Flash Point: 113.184 °C
• PSA: 53.75000
• Density: 1.19 g/cm³
• LogP: 1.15588
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 146.048012819
• Heavy Atom Count: 11
• Complexity: 203

Purity/Quality:

98%min ^*data from raw suppliers

2-acetylpyridine-4-carbonitrile 97 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Acetylisonicotinonitrile

There total 1 articles about 2-Acetylisonicotinonitrile 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:

2-(3-methylbutanoyl)isonicotinonitrile (155806-66-9) → 2-acetylpyridine-4-carbonitrile (37398-49-5) + 1-(4-(trifluoromethyl)pyridin-2-yl)ethanone (145947-94-0) + 1-(4-trifluoromethyl-2-pyridyl)-2,2-dimethylcyclopropan-1-ol

Guidance literature:

In tert-butyl alcohol; benzene; for 7h; Irradiation;

DOI:10.1021/jo00087a032

Reference yield: 56.0%

2-acetylpyridine-4-carbonitrile (37398-49-5) + 4-bromo-benzaldehyde (1122-91-4) → 1-(3-oxo-3-[2-(4-cyanopyridyl)]propen-1-yl)-4-bromobenzene (878007-28-4)

Guidance literature:

With aluminum oxide; In tetrahydrofuran; for 0.25h; microwave irradiation;

DOI:10.1021/jo052036l

Reference yield: 53.0%

2-acetylpyridine-4-carbonitrile (37398-49-5) + N-methylaniline (100-61-8) → 1-(4-(methyl(phenyl)amino)pyridin-2-yl)ethanone

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; 1,3-dicyano-5-fluoro-2,4,6-tris(diphenylamino)benzene; In acetonitrile; at 20 ℃; for 36h; Inert atmosphere; Irradiation;

DOI:10.1021/jacs.0c07600

upstream raw materials:

2-(3-methylbutanoyl)isonicotinonitrile

Downstream raw materials:

1-(3-oxo-3-[2-(4-cyanopyridyl)]propen-1-yl)-4-bromobenzene

Refernces