3-Phenylpyrrolidin-2-one

Base Information

• Chemical Name: 3-Phenylpyrrolidin-2-one
• CAS No.: 6836-97-1
• Molecular Formula: C10H11NO
• Molecular Weight: 161.203
• Hs Code.: 2933790090
• European Community (EC) Number: 831-779-2
• DSSTox Substance ID: DTXSID40987907
• Nikkaji Number: J973.989K
• Mol file: 6836-97-1.mol

Synonyms:3-phenylpyrrolidin-2-one;6836-97-1;2-Pyrrolidinone, 3-phenyl-;3-Phenyl-2-pyrrolidinone;BRN 1527321;rac-3-Phenyl-pyrrolidin-2-one;Lactam of alpha-phenyl-gamma-aminobutyric acid;MFCD01687225;(r,s)-3-phenyl-pyrrolidin-2-one;3-Phenyl-2-pyrrolizinone;3-phenyl-2-oxopyrrolidine;3-Phenyl-pyrrolidin-2-one;SCHEMBL3730431;DTXSID40987907;AKOS006279575;FS-3305;4-Phenyl-3,4-dihydro-2H-pyrrol-5-ol;LS-138960;CS-0055109;EN300-127536;P19899;Z1198157720

Chemical Property of 3-Phenylpyrrolidin-2-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 362.3°Cat760mmHg
• Flash Point: 212.4°C
• PSA: 32.59000
• Density: 1.108g/cm³
• LogP: 1.56600
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

97% ^*data from raw suppliers

3-phenylpyrrolidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(=O)C1C2=CC=CC=C2

Technology Process of 3-Phenylpyrrolidin-2-one

There total 17 articles about 3-Phenylpyrrolidin-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: 87.0%

β-(carbomethoxy)-β-phenylpropionitrile (88970-65-4) → 3-phenylpyrrolidin-2-one (6836-97-1)

Guidance literature:

β-(carbomethoxy)-β-phenylpropionitrile; With ammonia; hydrogen; In ethanol; at 20 ℃; for 17h; Inert atmosphere;

In ethanol; for 24h; Reflux; Inert atmosphere;

DOI:10.1055/s-0035-1560090

Reference yield: 80.0%

N-benzoylaziridine (7646-66-4) + benzeneacetic acid methyl ester (101-41-7) → benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + 3-phenylpyrrolidin-2-one (6836-97-1)

Guidance literature:

With triphenylmethyl sodium; In tetrahydrofuran; for 72h; Yields of byproduct given;

Reference yield: 74.0%

3-phenyldihydrofuran-2-one (6836-98-2) → 3-phenylpyrrolidin-2-one (6836-97-1)

Guidance literature:

With ammonium hydroxide; In ethanol; at 230 ℃; for 25h;

DOI:10.1021/jm00080a013

upstream raw materials:

N-benzoylaziridine

phenylacetonitrile

benzeneacetic acid methyl ester

3-phenyldihydrofuran-2-one

Downstream raw materials:

N-<(R)-1-(1-naphthyl)ethyl>-3-phenyl-2-pyrrolidone-1-carboxamide

N-<(R)-1-(1-naphthyl)ethyl>-3-phenyl-2-pyrrolidone-1-carboxamide

ethyl 2-oxo-3-phenyl-1-pyrrolidineacetate

N-propargyl-3-phenyl-2-pyrrolidone