1-Isobutyryl-2-pyrrolidinone

Basic Information

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CAS Number

92475-82-6

Molecular Formula

C8H13NO2

Molecular Weight

155.2 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

Melting Point

34-35 ºC

Boiling Point

264 ºC

Density

1.101

Flash Point

113 ºC

SMILES

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CC(C)C(=O)N1CCCC1=O

InChI

InChI=1S/C8H13NO2/c1-6(2)8(11)9-5-3-4-7(9)10/h6H,3-5H2,1-2H3

InChIKey

QBCUMIMLCBGPEE-UHFFFAOYSA-N

LogP

0.7913999999999999

Topological Polar Surface Area

37.38 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

187

Synonyms & References

English

AKOS015898044
L10060
1-Isobutyrylpyrrolidin-2-one
92475-82-6
2-Pyrrolidinone,1-(2-methyl-1-oxopropyl)-
AMY10465
FT-0756838
SCHEMBL13615976
1-(isobutyryl)pyrrolidin-2-one
DTXSID60693295
1-(2-methylpropanoyl)pyrrolidin-2-one

MDL Number

MFCD18800998

FAQ

What are the physical and chemical properties of 1-Isobutyryl-2-pyrrolidone (CAS: 92475-82-6)?

1-Isobutyryl-2-pyrrolidone is a colorless liquid with a molecular weight of 167.23 g/mol. It has a slight pyrrolidone odor. The compound is soluble in water and organic solvents. Chemically, it is stable but reacts with strong acids and bases. It is a good solvent and used in various applications due to its unique properties.

How is 1-Isobutyryl-2-pyrrolidone (CAS: 92475-82-6) typically synthesized?

1-Isobutyryl-2-pyrrolidone is synthesized through the amide formation reaction between isobutyryl chloride and pyrrolidone. The reaction is conducted in the presence of a base like sodium hydroxide in an aprotic solvent. The yield is typically around 70-80%, and the product is isolated through crystallization or by distillation.

What industries use 1-Isobutyryl-2-pyrrolidone (CAS: 92475-82-6)?

1-Isobutyryl-2-pyrrolidone is widely used in the pharmaceutical industry as a precursor for drug synthesis. It is also utilized in the polymer industry for modifying the properties of polymers. Additionally, it is used in the production of sensors and semiconductors for its solvent and reactivity properties.

What precautions should be taken when handling 1-Isobutyryl-2-pyrrolidone (CAS: 92475-82-6)?

When handling 1-Isobutyryl-2-pyrrolidone, use proper personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Store the compound in a cool, well-ventilated area away from strong acids and bases. In case of a spill, use appropriate spill cleanup procedures and refer to the Safety Data Sheet (SDS) for detailed instructions. Work in a fume hood to minimize exposure to vapors.