N-Acetyl-2-pyrrolidone

Base Information

• Chemical Name: N-Acetyl-2-pyrrolidone
• CAS No.: 932-17-2
• Molecular Formula: C6H9NO2
• Molecular Weight: 127.143
• Hs Code.: 2933790090
• European Community (EC) Number: 213-248-1
• NSC Number: 50334
• UNII: DL2S7T2BKP
• DSSTox Substance ID: DTXSID30239321
• Nikkaji Number: J51.463B
• Wikidata: Q83121669
• ChEMBL ID: CHEMBL12223
• Mol file: 932-17-2.mol

Synonyms:1-Acetyl-2-pyrrolidone;932-17-2;1-Acetylpyrrolidin-2-one;N-Acetyl-2-pyrrolidone;2-Pyrrolidinone, 1-acetyl-;N-Acetylpyrrolidone;N-Acetyl-2-pyrrolidinone;AI3-32424;EINECS 213-248-1;NSC 50334;DL2S7T2BKP;BRN 0002625;NSC-50334;5-21-06-00357 (Beilstein Handbook Reference);2-Pyrrolidinone,1-acetyl-;N-Acetylpyrrolidon;NSC50334;N-acetylpyrrolidinone;MFCD00014101;UNII-DL2S7T2BKP;N-Acetylpyrrolidin-2-one;WLN: T5NVTJ AV1;1-Acetyl-2-pyrrolidinone #;CHEMBL12223;SCHEMBL185461;YLHUPYSUKYAIBW-UHFFFAOYSA-;DTXSID30239321;1-Acetyl-2-pyrrolidone , 95%;AKOS006228225;AS-59407;LS-138587;CS-0186313;FT-0629791;H11367

Chemical Property of N-Acetyl-2-pyrrolidone

Chemical Property:

• Vapor Pressure: 0.0315mmHg at 25°C
• Refractive Index: 1.494
• Boiling Point: 243.8 °C at 760 mmHg
• PKA: -1.34±0.20(Predicted)
• Flash Point: 110.7 °C
• PSA: 37.38000
• Density: 1.182 g/cm³
• LogP: 0.09320
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 127.063328530
• Heavy Atom Count: 9
• Complexity: 153

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Acetylpyrrolidin-2-one 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCCC1=O

Technology Process of N-Acetyl-2-pyrrolidone

There total 15 articles about N-Acetyl-2-pyrrolidone 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: 96.0%

2-pyrrolidinon (616-45-5) + acetic anhydride (108-24-7) → N-acetylpyrrolidinone (932-17-2)

Guidance literature:

for 2h; Heating / reflux;

Reference yield: 82.0%

N-allylacetamide (692-33-1) + carbon monoxide (201230-82-2) → N-acetylpyrrolidinone (932-17-2)

Guidance literature:

With bis[2-(diphenylphosphino)phenyl] ether; palladium(II) iodide; In toluene; at 105 ℃; for 20h; under 37503.8 Torr; regioselective reaction; Inert atmosphere; Autoclave;

DOI:10.1002/anie.201503954

Reference yield: 80.0%

N-(acetyl)pyrrolidine (4030-18-6) → N-acetylpyrrolidinone (932-17-2)

Guidance literature:

With pyridine; N-hydroxyphthalimide; sodium perchlorate; In acetonitrile; controlled potential electrolysis, electrodes: glassy-carbon vs. SCE;

upstream raw materials:

2-pyrrolidinon

Isopropenyl acetate

acetic anhydride

acetyl chloride

Downstream raw materials:

2-oxo-3-piperonyliden-pyrrolidin

2-methyl-1H-pyrroline

1-acetyl-5-fluoro-2-pyrrolidinone

3-(2-methoxy-benzylidene)-pyrrolidin-2-one