1-Methyl-5-phenylpyridin-2-one

Base Information

• Chemical Name: 1-Methyl-5-phenylpyridin-2-one
• CAS No.: 107971-01-7
• Molecular Formula: C12H11 N O
• Molecular Weight: 185.225
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20562034
• Nikkaji Number: J1.196.390K
• Mol file: 107971-01-7.mol

Synonyms:107971-01-7;1-METHYL-5-PHENYLPYRIDIN-2-ONE;1-METHYL-5-PHENYL-1,2-DIHYDRO-2-OXOPYRIDINE;1-Methyl-5-phenylpyridin-2(1H)-one;2(1H)-Pyridinone,1-methyl-5-phenyl-;SCHEMBL9919107;DTXSID20562034

Chemical Property of 1-Methyl-5-phenylpyridin-2-one

Chemical Property:

• PSA: 22.00000
• LogP: 2.05230
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 185.084063974
• Heavy Atom Count: 14
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C=CC1=O)C2=CC=CC=C2

Technology Process of 1-Methyl-5-phenylpyridin-2-one

There total 9 articles about 1-Methyl-5-phenylpyridin-2-one 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%

5-bromo-1-methylpyridin-2(1H)-one (81971-39-3) + phenylboronic acid (98-80-6) → 1-methyl-5-phenylpyridin-2(1H)-one (107971-01-7)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In ethanol; water; toluene; at 80 ℃; for 16h; Schlenk technique; Inert atmosphere;

DOI:10.1055/s-0034-1378703

Reference yield: 89.0%

5-Phenyl-2(1H)-pyridinone (76053-45-7) + methyl iodide (74-88-4) → 1-methyl-5-phenylpyridin-2(1H)-one (107971-01-7)

Guidance literature:

5-Phenyl-2(1H)-pyridinone; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 0.133333h; Schlenk technique; Inert atmosphere;

methyl iodide; In tetrahydrofuran; hexane; at 0 - 65 ℃; for 22.75h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.9b03806

Reference yield: 75.0%

1,6-dihydro-6-imino-1-methyl-3-phenylpyridine (107970-99-0) → 1-methyl-5-phenylpyridin-2(1H)-one (107971-01-7)

Guidance literature:

With potassium hydroxide; for 4h; Heating;

DOI:10.1002/jhet.5570230409

upstream raw materials:

3-phenylpyridine

dimethyl sulfate

1,6-dihydro-6-imino-1-methyl-3-phenylpyridine

iodure de 1-methyl-3-phenylpyridinium

Downstream raw materials:

N-phenyl-2-methyl-7-phenyl-3-oxo-2-azabicyclo<2.2.2>oct-7-ene-5,6-exo-dicarboximide

N-phenyl-2-methyl-7-phenyl-3-oxo-2-azabicyclo<2.2.2>oct-7-ene-5,6-endo-dicarboximide

1-methyl-5-phenyl-piperidin-2-one