5-Ethylpyrrolidin-2-one

Base Information

• Chemical Name: 5-Ethylpyrrolidin-2-one
• CAS No.: 10312-40-0
• Molecular Formula: C6H11NO
• Molecular Weight: 113.15800
• European Community (EC) Number: 835-678-4
• ChEMBL ID: CHEMBL4594151
• Mol file: 10312-40-0.mol

Synonyms:5-ethylpyrrolidin-2-one;5-ethyl-2-pyrrolidinone;10312-40-0;2-Pyrrolidinone, 5-ethyl-;106203-90-1;(R)-5-Ethylpyrrolidin-2-one;(5R)-5-ETHYLPYRROLIDIN-2-ONE;SCHEMBL1935586;CHEMBL4594151;QMXPTUUFGSTIKK-UHFFFAOYSA-N;MFCD19216837;MFCD19219926;5-Ethyl-2-pyrrolidinone, AldrichCPR;AKOS006351285;BS-37345;SY325591;CS-0046651;EN300-98604;D72846;Z1203731077

Chemical Property of 5-Ethylpyrrolidin-2-one

Chemical Property:

• PSA: 29.10000
• LogP: 1.00380
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 113.084063974
• Heavy Atom Count: 8
• Complexity: 101

Purity/Quality:

97% ^*data from raw suppliers

5-Ethylpyrrolidin-2-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CCC(=O)N1

Technology Process of 5-Ethylpyrrolidin-2-one

There total 10 articles about 5-Ethylpyrrolidin-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: 50.0%

5-ethoxy-pyrrolidin-2-one (39662-63-0) + ethylmagnesium bromide (925-90-6) → 5-ethyl-2-pyrrolidinone (10312-40-0)

Guidance literature:

In tetrahydrofuran; at -15 ℃; Inert atmosphere; Reflux;

DOI:10.1080/00397911.2018.1550200

Reference yield: 46.0%

4-Phenylazo-hexanoic acid methyl ester → 5-ethyl-2-pyrrolidinone (10312-40-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; at 50 ℃;

DOI:10.1039/c39840001095

Reference yield: 40.0%

5-Ethyl-1-(4-methoxy-phenyl)-pyrrolidin-2-one (119691-01-9) → 5-ethyl-2-pyrrolidinone (10312-40-0)

Guidance literature:

With ammonium cerium(IV) nitrate; In water; acetonitrile; at 0 ℃; for 0.25h;

upstream raw materials:

ethylmagnesium chloride

5-(phenylsulphonyl)-2-pyrrolidinone

4-Phenylazo-hexanoic acid methyl ester

5-Ethyl-1-(4-methoxy-phenyl)-pyrrolidin-2-one

Downstream raw materials:

4-ethyl aminobutyric acid