1-(4-Acetylphenyl)pyrrolidin-2-one

Base Information

• Chemical Name: 1-(4-Acetylphenyl)pyrrolidin-2-one
• CAS No.: 682351-65-1
• Molecular Formula: C12H13NO2
• Molecular Weight: 203.241
• European Community (EC) Number: 863-623-4
• DSSTox Substance ID: DTXSID20407193
• Nikkaji Number: J2.021.409K
• Wikidata: Q82212435

Synonyms:1-(4-acetylphenyl)pyrrolidin-2-one;682351-65-1;2-Pyrrolidinone, 1-(4-acetylphenyl)-;SCHEMBL12359037;DTXSID20407193;2-Pyrrolidinone,1-(4-acetylphenyl)-;AKOS008961363;CS-0234469;EN300-14220;SR-01000074471;SR-01000074471-1;Z55148966

Chemical Property of 1-(4-Acetylphenyl)pyrrolidin-2-one

Chemical Property:

• PSA: 37.38000
• LogP: 2.08100
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 267

Purity/Quality:

99%, ^*data from raw suppliers

1-(4-acetylphenyl)pyrrolidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)N2CCCC2=O

Technology Process of 1-(4-Acetylphenyl)pyrrolidin-2-one

There total 5 articles about 1-(4-Acetylphenyl)pyrrolidin-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: 98.0%

2-pyrrolidinon (616-45-5) + 4-Iodoacetophenone (13329-40-3) → 1-(4-acetylphenyl)pyrrolidin-2-one (682351-65-1)

Guidance literature:

With potassium phosphate; copper(l) iodide; glycine; In 1,4-dioxane; at 100 ℃; for 24h;

DOI:10.1016/j.tetlet.2004.01.119

Reference yield: 93.0%

2-pyrrolidinon (616-45-5) + para-bromoacetophenone (99-90-1) → 1-(4-acetylphenyl)pyrrolidin-2-one (682351-65-1)

Guidance literature:

With copper(l) iodide; dimethylaminoacetic acid; potassium carbonate; In N,N-dimethyl-formamide; at 90 ℃; for 16h; Schlenk technique; Inert atmosphere;

DOI:10.3390/molecules190913448

Reference yield: 78.0%

2-pyrrolidinon (616-45-5) + para-chloroacetophenone (99-91-2) → 1-(4-acetylphenyl)pyrrolidin-2-one (682351-65-1)

Guidance literature:

With (PAd₂-DalPhos)NiCl(o-tol); caesium carbonate; In 1,4-dioxane; at 90 ℃; for 18h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1002/chem.201605095

upstream raw materials:

2-pyrrolidinon

4-Iodoacetophenone

para-bromoacetophenone

para-chloroacetophenone

Downstream raw materials:

C₁₂H₁₂BrNO₂

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