1-Benzyl-5-oxopyrrolidine-3-carboxamide

Base Information

• Chemical Name: 1-Benzyl-5-oxopyrrolidine-3-carboxamide
• CAS No.: 116041-19-1
• Molecular Formula: C12H14N2O2
• Molecular Weight: 218.255
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID40411090
• Nikkaji Number: J1.553.881C
• Mol file: 116041-19-1.mol

Synonyms:1-benzyl-5-oxopyrrolidine-3-carboxamide;116041-19-1;1-benzyl-5-oxo-3-pyrrolidinecarboxamide;3-Pyrrolidinecarboxamide, 5-oxo-1-(phenylmethyl)-;1-benzyl-5-oxo-pyrrolidine-3-carboxylic acid amide;MFCD00173111;Bionet2_000035;Oprea1_601877;SCHEMBL2525981;DTXSID40411090;GXFFGHGZXQWFHG-UHFFFAOYSA-N;HMS1364B13;AKOS000114237;AKOS016340089;691906-88-4;CS-0159410;6H-040;E81981;EN300-128627;Z33546702

Chemical Property of 1-Benzyl-5-oxopyrrolidine-3-carboxamide

Chemical Property:

• PSA: 64.39000
• LogP: 1.60800
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 218.105527694
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-5-oxopyrrolidine-3-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)N

Technology Process of 1-Benzyl-5-oxopyrrolidine-3-carboxamide

There total 2 articles about 1-Benzyl-5-oxopyrrolidine-3-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: 72.0%

methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate (51535-00-3) → 1-benzyl 5-oxo-pyrrolidine-3-carboxamide (116041-19-1)

Guidance literature:

With ammonium hydroxide; for 12h;

DOI:10.1016/S0040-4039(01)00985-6

Reference yield:

→ 1-benzyl 5-oxo-pyrrolidine-3-carboxamide (116041-19-1)

Guidance literature:

Dimethylitaconat, entspr. Amin, NH3;

Reference yield: 75.0%

1-benzyl 5-oxo-pyrrolidine-3-carboxamide (116041-19-1) → 4-amino 1-benzylpyrrolidin-2-one (368429-69-0)

Guidance literature:

With [bis(acetoxy)iodo]benzene; In water; acetonitrile; at 20 ℃; for 1h;

DOI:10.1016/S0040-4039(01)00985-6

upstream raw materials:

methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate

Downstream raw materials:

4-amino 1-benzylpyrrolidin-2-one

1-Benzyl-3-aminopyrrolidine

C-(1-benzyl-pyrrolidin-3-yl)-methylamine