1-(3-Nitrophenyl)pyrrolidin-2-one

Base Information

• Chemical Name: 1-(3-Nitrophenyl)pyrrolidin-2-one
• CAS No.: 61372-79-0
• Molecular Formula: C10H10N2O3
• Molecular Weight: 206.201
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID30363776
• Nikkaji Number: J356.449E
• Wikidata: Q82147510
• Mol file: 61372-79-0.mol

Synonyms:1-(3-nitrophenyl)pyrrolidin-2-one;61372-79-0;1-(3-nitrophenyl)-2-pyrrolidinone;Oprea1_143693;SCHEMBL3223479;DTXSID30363776;1-(3-Nitrophenyl)-2-pyrrolidone;1-(3nitrophenyl)pyrrolidin-2-one;MFCD00736864;STK736849;AKOS001126597;CS-0206080;EU-0050911;1-(3-NITRO-PHENYL)-PYRROLIDIN-2-ONE;EN300-54241;2Y-0837;A868720;SR-01000510288;SR-01000510288-1;Z55670901

Chemical Property of 1-(3-Nitrophenyl)pyrrolidin-2-one

Chemical Property:

• PSA: 66.13000
• LogP: 2.30980
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 206.06914219
• Heavy Atom Count: 15
• Complexity: 274

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Nitrophenyl)pyrrolidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1)C2=CC(=CC=C2)[N+](=O)[O-]

Technology Process of 1-(3-Nitrophenyl)pyrrolidin-2-one

There total 8 articles about 1-(3-Nitrophenyl)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: 95.0%

2-pyrrolidinon (616-45-5) + m-nitrobenzene boronic acid (13331-27-6) → 1-(3-nitrophenyl)-2-oxotetrahydropyrrole (61372-79-0)

Guidance literature:

2-pyrrolidinon; m-nitrobenzene boronic acid; With copper(l) iodide; In dimethyl sulfoxide; at 20 ℃; for 0.166667h;

With tert.-butylhydroperoxide; In water; dimethyl sulfoxide; at 60 ℃; for 1h;

DOI:10.1055/s-0034-1380741

Reference yield: 77.0%

3-nitro-aniline (99-09-2) + 4-Chlorobutanoyl chloride (4635-59-0) → 1-(3-nitrophenyl)-2-oxotetrahydropyrrole (61372-79-0)

Guidance literature:

3-nitro-aniline; 4-Chlorobutanoyl chloride; With disodium hydrogen phosphate monohydrate; In chloroform; at 25 ℃; for 15h;

With ethanol; sodium; at 25 ℃; for 15h;

DOI:10.1016/j.bmc.2018.07.042

Reference yield: 68.0%

2-pyrrolidinon (616-45-5) + m-nitrobromobenzene (585-79-5) → 1-(3-nitrophenyl)-2-oxotetrahydropyrrole (61372-79-0)

Guidance literature:

With potassium carbonate; trans-1,2-cyclohexanediamine; copper(l) iodide; In 1,4-dioxane; at 110 ℃; for 24h;

upstream raw materials:

2-pyrrolidinon

3-Nitrochlorobenzene

m-nitrobromobenzene

m-iodonitrobenzene

Downstream raw materials:

3-(2-oxopyrrolidin-1-yl)benzene-1-sulfonyl chloride

1-(3-aminophenyl)pyrrolidin-2-one