1-[4-(Bromoacetyl)phenyl]-2-pyrrolidinone

Base Information

• Chemical Name: 1-[4-(Bromoacetyl)phenyl]-2-pyrrolidinone
• CAS No.: 870761-09-4
• Molecular Formula: C₁₂H₁₂BrNO₂
• Molecular Weight: 282.137
• DSSTox Substance ID: DTXSID50427869
• Wikidata: Q82240593
• Mol file: 870761-09-4.mol

Synonyms:870761-09-4;1-[4-(BROMOACETYL)PHENYL]-2-PYRROLIDINONE;1-[4-(2-bromoacetyl)phenyl]pyrrolidin-2-one;1-[4-(bromoacetyl)phenyl]pyrrolidin-2-one;SCHEMBL17382470;DTXSID50427869;MFCD07345533;AKOS000118377;BS-14051;CS-0234621;FT-0663631;EN300-14466;Z104346726

Chemical Property of 1-[4-(Bromoacetyl)phenyl]-2-pyrrolidinone

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 281.00514
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

97% ^*data from raw suppliers

1-[4-(Bromoacetyl)phenyl]-2-pyrrolidinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)CBr

Technology Process of 1-[4-(Bromoacetyl)phenyl]-2-pyrrolidinone

There total 2 articles about 1-[4-(Bromoacetyl)phenyl]-2-pyrrolidinone 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: 36.0%

1-(4-acetylphenyl)pyrrolidin-2-one (682351-65-1) → C12H12BrNO2 (870761-09-4)

Guidance literature:

With copper(ll) bromide; In chloroform; ethyl acetate; at 70 ℃;

Reference yield:

4-Iodoacetophenone (13329-40-3) → C12H12BrNO2 (870761-09-4)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(l) iodide; potassium carbonate / 1,4-dioxane / 4 h / 100 °C

2: copper(ll) bromide / ethyl acetate; chloroform / 70 °C

With copper(l) iodide; potassium carbonate; copper(ll) bromide; In 1,4-dioxane; chloroform; ethyl acetate;

upstream raw materials:

4-Iodoacetophenone

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

Refernces