1-Methyl-4-phenylpyrrolidin-2-one

Base Information

• Chemical Name: 1-Methyl-4-phenylpyrrolidin-2-one
• CAS No.: 54520-84-2
• Molecular Formula: C11H13NO
• Molecular Weight: 175.23
• ChEMBL ID: CHEMBL4788775
• DSSTox Substance ID: DTXSID40498745
• Nikkaji Number: J2.163.770J

Synonyms:CHEMBL4788775;1-methyl-4-phenylpyrrolidin-2-one;54520-84-2;SCHEMBL6556310;DTXSID40498745;N-methyl-4-phenyl-2-pyrrolidone;NJSMSOSBMMZSSB-UHFFFAOYSA-N;1-methyl-4-phenyl-2-pyrrolidinone;1-Methyl-4-phenyl-pyrrolidin-2-one;BDBM50551475

Chemical Property of 1-Methyl-4-phenylpyrrolidin-2-one

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 175.099714038
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC(CC1=O)C2=CC=CC=C2

Technology Process of 1-Methyl-4-phenylpyrrolidin-2-one

There total 17 articles about 1-Methyl-4-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: 88.0%

4-phenylpyrrolidin-2-one (1198-97-6) + methyl iodide (74-88-4) → 1-methyl-4-phenyl-pyrrolidin-2-one (54520-84-2)

Guidance literature:

4-phenylpyrrolidin-2-one; With sodium hydride; In tetrahydrofuran; mineral oil; for 0.5h; Sealed tube; Inert atmosphere;

methyl iodide; In tetrahydrofuran; mineral oil; at 20 ℃; Sealed tube; Inert atmosphere;

DOI:10.1016/j.ejmech.2020.112120

Reference yield: 88.0%

(E)-N,N-dimethylcinnamamide (17431-39-9) → 1-methyl-4-phenyl-pyrrolidin-2-one (54520-84-2)

Guidance literature:

at 950 - 1000 ℃; under 0.0015 Torr;

DOI:10.1016/j.tetlet.2005.03.004

Reference yield: 88.0%

N,N-dimethyl-3-phenylacrylamide (17431-39-9,131214-20-5,13156-74-6) → 1-methyl-4-phenyl-pyrrolidin-2-one (54520-84-2)

Guidance literature:

at 950 - 1000 ℃; under 0.0015 Torr;

DOI:10.1016/j.tet.2009.06.011

upstream raw materials:

4-phenylpyrrolidin-2-one

dimethyl sulfate

methanol

1-(dimethylchlorosilylmethyl)-4-phenyl-2-pyrrolidone

Downstream raw materials:

1-Methyl-3-trimethylsilyl-4-phenyl-2-pyrrolidone

1-methyl-4-phenyl-pyrrolidine-2-thione

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