4-Isobutyl-2-pyrrolidinone Chemical Properties

Boiling point:

269.1±9.0 °C(Predicted)

Density 

0.927±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,2-8°C

solubility 

Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)

form 

Solid

pka

16.66±0.40(Predicted)

color 

Colourless to Light Yellow Oil

Major Application

pharmaceutical

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

SMILES

N1CC(CC1=O)CC(C)C

CAS DataBase Reference

61312-87-6

Safety Information

HazardClass 

IRRITANT

HS Code 

2933790002

Storage Class

11 - Combustible Solids

4-Isobutyl-2-pyrrolidinone Usage And Synthesis

Chemical Properties

Pale Yellow Oil

Uses

Impurity in commercial preparation of Pregabalin.

Uses

Pregabalin (P704800)

Uses

Pregabalin intermediate

Synthesis

To 600 mL of methanol, 50.00 g of nitro compound (01), 18.04 g of NiCl2-6H2O was added; the solution was cooled down to 0??C-5??C and 18.2 g of sodium borohydride was added. After addition, the temperature was raised to 40??C-45??C and stirred for 12 hours. Then the mixture was cooled down to room temperature, drops of aqueous hydrochloric acid solution, adjust the pH = 2-3. The reaction solution was concentrated under reduced pressure until the system was free of obvious methanol (gas chromatography detection), ethyl acetate was added for extraction, washed with water, and the organic layer was dried and concentrated to obtain the lactam compound (02) Isobutyl-2-pyrrolidinone, a light yellow oily substance of 31.20 g, yield 96.0%, purity 99.10%.

4-Isobutyl-2-pyrrolidinone(61312-87-6)Related Product Information

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• 2-ISOBUTYL SUCCINIC ACID
• (R)-(-)-3-Carbamoymethyl-5-methylhexanoic acid
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