3-acetylpyridin-2(1H)-one

Base Information

• Chemical Name: 3-acetylpyridin-2(1H)-one
• CAS No.: 62838-65-7
• Molecular Formula: C7H7NO2
• Molecular Weight: 137.138
• Hs Code.: 2933399090
• European Community (EC) Number: 851-687-6
• DSSTox Substance ID: DTXSID40489719
• Wikidata: Q82333149
• Mol file: 62838-65-7.mol

Synonyms:62838-65-7;3-acetylpyridin-2(1H)-one;3-Acetyl-2(1H)-Pyridinone;1-(2-hydroxypyridin-3-yl)ethanone;3-ACETYL-1H-PYRIDIN-2-ONE;1-(2-HYDROXY-PYRIDIN-3-YL)-ETHANONE;1-(2-hydroxypyridin-3-yl)ethan-1-one;3-Acetyl-2(1H)-pyridone;1-(2-Hydroxy-3-pyridinyl)ethanone;2(1H)-Pyridinone, 3-acetyl-;acetylpyridone;3-acetyl-1,2-dihydropyridin-2-one;3-Acetyl-2-pyridone;SCHEMBL3182033;DTXSID40489719;PYKHYSXTVOVOHV-UHFFFAOYSA-N;BCP28633;2(1H)-Pyridinone,3-acetyl-(9ci);MFCD11977425;AKOS006352548;CS-W008721;SB38008;DS-12807;FT-0697045;A22166;A905065;J-511497

Chemical Property of 3-acetylpyridin-2(1H)-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 164 °C(Solv: ligroine (8032-32-4); ethanol (64-17-5))
• Refractive Index: 1.557
• Boiling Point: 328.725 °C at 760 mmHg
• PKA: 9.86±0.10(Predicted)
• Flash Point: 152.608 °C
• PSA: 49.93000
• Density: 1.218 g/cm³
• LogP: 0.57750
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 137.047678466
• Heavy Atom Count: 10
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

3-Acetyl-2(1H)-pyridone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=CNC1=O
• Uses: 3-Acetyl-2(1H)-pyridone is a general chemical reagent used in the synthesis of 2,3-disubstituted pyridines. Also used in the synthesis of quinolones

Technology Process of 3-acetylpyridin-2(1H)-one

There total 10 articles about 3-acetylpyridin-2(1H)-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: 72.0%

3-acetyl-2-chloropyridine (55676-21-6) → 1-(2-hydroxypyridin-3-yl)ethanone (62838-65-7)

Guidance literature:

With dihydrogen peroxide; In hydrogenchloride; for 20h; Heating;

Reference yield: 44.0%

→ 1-(2-hydroxypyridin-3-yl)ethanone (62838-65-7)

Guidance literature:

With water; sodium acetate; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In 1,2-dichloro-ethane; at 60 - 85 ℃;

Reference yield: 28.0%

3-acetylpyridine N-oxide (14188-94-4) + acetic anhydride (108-24-7) → 1-(2-hydroxypyridin-3-yl)ethanone (62838-65-7) + 5-acetylpyridin-2(1H)-one (1124-29-4)

Guidance literature:

for 14h; Heating;

DOI:10.1016/S0040-4020(01)00893-6

upstream raw materials:

methyl-3-pyridylketone

3-acetyl-2-chloropyridine

2-(phenylmethoxy)-3-<(trimethylsilyl)ethynyl>pyridine

3-acetylpyridine N-oxide

Downstream raw materials:

2-(3',4'-dihydroxyphenyl)-3-hydroxy-4H-pyrano[2,3-b]pyridine-4-one

2-(3',4'-dibenzyloxyphenyl)-3-hydroxy-4H-pyrano[2,3-b]pyridine-4-one