4-Isobutylpyrrolidin-2-one

Basic Information

View in Editor

CAS Number

61312-87-6

Molecular Formula

C8H15NO

Molecular Weight

141.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

View in Editor

CC(C)CC1CC(=O)NC1

InChI

InChI=1S/C8H15NO/c1-6(2)3-7-4-8(10)9-5-7/h6-7H,3-5H2,1-2H3,(H,9,10)

InChIKey

GUGXRXLTTHFKHC-UHFFFAOYSA-N

LogP

1.1686

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

131

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-Isobutylpyrrolidin-2-one
4-(2-Methylpropyl)-2-pyrrolidinone
2-pyrrolidinone, 4-(2-methylpropyl)-
4-isobutyl-2-pyrrolidinone(SALTDATA: FREE)
4-Isobutyl-2-pyrrolidinone (pregabalin lactaM iMpurity)
4-(2-Methylpropyl)-
4-(2-methylpropyl)pyrrolidin-2-one
4-ISOBUTYL-2-PYRROLIDINONE
(rac)-4-isobutylpyrrolidin-2-one
2-pyrrolidinone, 4-(2-methylpropyl)
HJE0MYU5XU
GUGXRXLTTHFKHC-UHFFFAOYSA-N
BCP33992
pregabalin lactam impurity
Z1198235319
(4RS)-4-(2-Methylpropyl)pyrrolidin-2-one (4-Isobutylpyrrolidin-2-one; (RS)-Pregabalin Lactam)
CS-0154054
4-Isobutyl-2-pyrrolidinone (pregabalin lactam impurity)
DTXSID40582855
SY192663
Pregabalin Impurity A
61312-87-6
PREGABALIN LACTAM [USP IMPURITY]
EN300-96599
NS00040714
SB47275
AMY38373
2-Pyrrolidinone, 4-(2-methylpropyl)-
MFCD09864501
AKOS005174112
AS-55168

MDL Number

MFCD09864501

Customs Code

2933790090

FAQ

What are the physical and chemical properties of 4-Isobutylpyrrolidin-2-one (CAS: 61312-87-6)?

4-Isobutylpyrrolidin-2-one is a colorless to pale yellow liquid with a strong odor. Its molecular weight is approximately 145.23 g/mol. It has a high solubility in organic solvents like ethanol and acetone but is insoluble in water. It is moderately reactive with weak nucleophiles and exhibits good stability under normal storage conditions. The compound is poorly soluble in water, making it suitable for applications requiring good solubility in organic media.

How is 4-Isobutylpyrrolidin-2-one (CAS: 61312-87-6) typically synthesized?

4-Isobutylpyrrolidin-2-one is commonly synthesized via a reaction between 2-chloro-4-isobutylpyrrole and potassium hydroxide in an aprotic solvent like dimethyl sulfoxide (DMSO). This method provides good yield and selectivity, with the reaction occurring under mild conditions. Other methods include the Wittig reaction involving isobutyl chlorophosphite and 2-pyrrolidonium bromide, which also yields high purity and selectivity.

What industries use 4-Isobutylpyrrolidin-2-one (CAS: 61312-87-6)?

4-Isobutylpyrrolidin-2-one is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in the production of polymers as a monomer, in sensors for detecting specific chemical compounds, and in semiconductor manufacturing as a precursor for functional materials. Its versatile chemical properties make it suitable for a range of industrial processes.

What precautions should be taken when handling 4-Isobutylpyrrolidin-2-one (CAS: 61312-87-6)?

When handling 4-Isobutylpyrrolidin-2-one, it is essential to wear appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. Ensure that the substance is stored in a cool, dry place away from direct sunlight and heat sources. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation of vapors. In case of a spill, use appropriate absorbent materials and dispose of them according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.