2-Oxopyrrolidine-1-carboxamide

Base Information

• Chemical Name: 2-Oxopyrrolidine-1-carboxamide
• CAS No.: 40451-67-0
• Molecular Formula: C5H8N2O2
• Molecular Weight: 128.13
• Hs Code.: 2933790090
• NSC Number: 299939
• DSSTox Substance ID: DTXSID70316140
• Nikkaji Number: J884.413E
• Wikidata: Q82069765
• Metabolomics Workbench ID: 44096
• ChEMBL ID: CHEMBL506960
• Mol file: 40451-67-0.mol

Synonyms:squamolone;2-oxopyrrolidine-1-carboxamide;40451-67-0;1-Carbamoyl-2-pyrrolidone;1-Pyrrolidinecarboxamide,2-oxo-(9CI);2-Oxo-1-pyrrolidinecarboxamide;NSC299939;BAS 03439482;CHEMBL506960;SCHEMBL1051735;DTXSID70316140;l-Pyrrolid-2-one, N-carbamoyl-;2-Oxo-1-pyrrolidinecarboxamide #;CHEBI:173482;HMS1683M07;STL564923;2-Oxo-1-pyrrolidinecarboxamide, 9CI;AKOS000669988;NSC-299939;AG-664/32145004

Chemical Property of 2-Oxopyrrolidine-1-carboxamide

Chemical Property:

• Vapor Pressure: 0.0213mmHg at 25°C
• Melting Point: 143-144 °C(Solv: benzene (71-43-2))
• Refractive Index: 1.551
• Boiling Point: 250.7 °C at 760 mmHg
• PKA: 13.82±0.20(Predicted)
• Flash Point: 105.4 °C
• PSA: 63.40000
• Density: 1.353 g/cm³
• LogP: 0.32570
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.058577502
• Heavy Atom Count: 9
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

2-OXO-1-PYRROLIDINECARBOXAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Oxopyrrolidine-1-carboxamide

There total 7 articles about 2-Oxopyrrolidine-1-carboxamide 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: 100.0%

1-(N-chloroacetylcarbamoyl)-2-pyrrolidinone (167417-31-4) → 2-oxopyrrolidine-1-carboxamide (40451-67-0)

Guidance literature:

With triethylamine; In methanol; for 2h; Ambient temperature;

DOI:10.1248/cpb.39.1112

Reference yield: 71.0%

methyl 4-cyanamidobutanoate (1411984-04-7) → 2-oxopyrrolidine-1-carboxamide (40451-67-0)

Guidance literature:

With dibutyl phosphate; In toluene; at 110 ℃; for 5h;

DOI:10.1016/j.tetlet.2012.08.083

Reference yield: 69.0%

grateloupine (2609-10-1) → 2-oxopyrrolidine-1-carboxamide (40451-67-0)

Guidance literature:

With acetic anhydride; for 1h; Heating;

DOI:10.1007/BF01171285

upstream raw materials:

grateloupine

1-(N-chloroacetylcarbamoyl)-2-pyrrolidinone

urea

4-amino-n-butyric acid

Downstream raw materials:

N-carbamoyl-2-methoxypyrrolidine

BTMI