3-Benzoylpyridine

Base Information

• Chemical Name: 3-Benzoylpyridine
• CAS No.: 5424-19-1
• Molecular Formula: C12H9NO
• Molecular Weight: 183.21
• Hs Code.: 2933 39 99
• European Community (EC) Number: 226-561-3
• NSC Number: 13190
• UNII: 2A1326450X
• DSSTox Substance ID: DTXSID90202591
• Nikkaji Number: J41.578B
• Wikidata: Q27254455
• Mol file: 5424-19-1.mol

Synonyms:3-benzoylpyridine

Chemical Property of 3-Benzoylpyridine

Chemical Property:

• Appearance/Colour: White to light yellow crystalline solid
• Vapor Pressure: 0.000345mmHg at 25°C
• Melting Point: 36-40 °C(lit.)
• Refractive Index: 1.588
• Boiling Point: 319.2 °C at 760 mmHg
• PKA: 3.23±0.10(Predicted)
• Flash Point: 154.8 °C
• PSA: 29.96000
• Density: 1.139 g/cm³
• LogP: 2.31260
• Storage Temp.: Store below +30°C.
• Solubility.: soluble in Methanol
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 183.068413911
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

Phenyl(pyridin-3-yl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CN=CC=C2

Technology Process of 3-Benzoylpyridine

There total 93 articles about 3-Benzoylpyridine 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: 100.0%

1-phenyl-1-(pyrid-3-yl)methanol (6270-47-9) → 3-Benzoylpyridine (5424-19-1)

Guidance literature:

With tert.-butylhydroperoxide; tetrabutyl-ammonium chloride; sodium carbonate; copper dichloride; 2,2′‐biquinoline‐4,4′‐dicarboxylic acid dipotassium salt; In water; at 20 ℃; for 24h;

DOI:10.1016/j.tetlet.2006.01.061

Reference yield: 99.0%

3-benzylpyridine (620-95-1) → 3-Benzoylpyridine (5424-19-1)

Guidance literature:

With oxygen; In 1,2-dichloro-benzene; at 120 ℃; for 6h; under 760.051 Torr; Schlenk technique;

DOI:10.1002/cctc.201701587

Reference yield: 97.0%

3-iodopyridine (1120-90-7) + carbon monoxide (201230-82-2) + phenylboronic acid (98-80-6) → 3-Benzoylpyridine (5424-19-1)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium carbonate; In methoxybenzene; at 100 ℃; for 20h; under 760.051 Torr; chemoselective reaction;

DOI:10.1002/ejoc.201001685

upstream raw materials:

3-pyridyllithium

benzonitrile

pyridine-3-carbonitrile

3-pyridinecarbonyl chloride

Downstream raw materials:

diphosphoric acid-1-adenosin-5'-ylester-2-[(1R)-1-(3-benzoyl-pyridinio)-D-1,4-anhydro-ribitol-5-ylester]-betaine

diphenyl(pyridin-3-yl)methanol

phenyl-(4-phenyl-1,4-dihydro-pyridin-3-yl)-methanone

1,2-diphenyl-1-[3]pyridyl-ethanol