2-Acetylpyrrolidine

Base Information

• Chemical Name: 2-Acetylpyrrolidine
• CAS No.: 60026-20-2
• Molecular Formula: C6H11NO
• Molecular Weight: 113.15764
• DSSTox Substance ID: DTXSID30338702
• Nikkaji Number: J986.429F
• Metabolomics Workbench ID: 47734
• Mol file: 60026-20-2.mol

Synonyms:2-Acetylpyrrolidine;60026-20-2;2-Acetyl-pyrrolidine;1-pyrrolidin-2-ylethanone;1-(PYRROLIDIN-2-YL)ETHANONE;1-(pyrrolidin-2-yl)ethan-1-one;Ethanone, 1-(2-pyrrolidinyl)-;2-pyrrolidinylmethyl ketone;1-(2-Pyrrolidinyl)ethanone;SCHEMBL805293;1-(2-Pyrrolidinyl)ethanone #;DTXSID30338702;CHEBI:166577;1-(2-Pyrrolidinyl)ethanone, 9CI;AKOS022299843;SB31743;SB33184;SB37876;CS-0454174;A903199

Chemical Property of 2-Acetylpyrrolidine

Chemical Property:

• Boiling Point: 179℃
• Flash Point: 79℃
• PSA: 29.10000
• Density: 0.975
• LogP: 0.65620
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 113.084063974
• Heavy Atom Count: 8
• Complexity: 101

Purity/Quality:

98%Min ^*data from raw suppliers

2-Acetyl-pyrrolidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CCCN1

Technology Process of 2-Acetylpyrrolidine

There total 2 articles about 2-Acetylpyrrolidine 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:

(S)-2-acetylpyrrolidine-1-carboxylic acid tert-butyl ester (91550-08-2) → L(-)-proline (120966-82-7,60026-20-2)

Guidance literature:

With trifluoroacetic acid;

DOI:10.1016/j.bmcl.2004.08.057

Reference yield:

tert-butyl (2S)-2-{[N-methoxy(N-methyl)amino]carbonyl}pyrrolidine-1-carboxylate (115186-37-3) → L(-)-proline (120966-82-7,60026-20-2)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / -78 - -40 °C

2: TFA

With trifluoroacetic acid; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2004.08.057

upstream raw materials:

(S)-2-acetylpyrrolidine-1-carboxylic acid tert-butyl ester

tert-butyl (2S)-2-{[N-methoxy(N-methyl)amino]carbonyl}pyrrolidine-1-carboxylate

Refernces

• 1、 Ferraris, Dana,Ko, Yao-Sen,Calvin, David,Chiou, Tiffany,Lautar, Susan,Thomas, Bert,Wozniak, Krystyna,Rojas, Camilo,Kalish, Vincent,Belyakov, Sergei. "Ketopyrrolidines and ketoazetidines as potent dipeptidyl peptidase IV (DPP IV) inhibitors". . p. 5579 - 5583. Retrieved 2007/10/03.