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61312-87-6

61312-87-6 Structure

61312-87-6 Structure
IdentificationBack Directory
[Name]

4-Isobutyl-2-pyrrolidinone
[CAS]

61312-87-6
[Synonyms]

Pregabalin Lactam
Pregabalin USP RC A
4-(2-Methylpropyl)-
Pregabalin impurity D
Pregabalin IMpurity IV
4-isobutyl-2-pyrrolidone
Pregabalin LactaM IMpurity
4-Isobutyl-2-pyrrolidinone
4-isobutylpyrrolidin-2-one
4-ISOBUTYL-2-PYRROLIDIN-1-YLNE
4-(2-Methylpropyl)-2-pyrrolidinone
4-(2-methylpropyl)pyrrolidin-2-one
2-pyrrolidinone, 4-(2-methylpropyl)-
4-isobutyl-2-pyrrolidinone(SALTDATA: FREE)
4-Isobutyl-2-pyrrolidinone (pregabalin lactaM iMpurity)
rac-Pregabalin EP Impurity A (Pregabalin Lactam Impurity)
[Molecular Formula]

C8H15NO
[MDL Number]

MFCD09864501
[MOL File]

61312-87-6.mol
[Molecular Weight]

141.21
Chemical PropertiesBack Directory
[Boiling point ]

269.1±9.0 °C(Predicted)
[density ]

0.927±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

16.66±0.40(Predicted)
[color ]

Colourless to Light Yellow
[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
Hazard InformationBack Directory
[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. T
[References]

[1] Sripathi, S., Somesetti, N. R., Veeramalla, R., Challa, N. R., Peddi, S., Karnati, V. R. (2010). Synthesis and characterization of impurities of an anticonvulsant drug, Pregabalin. Arkivoc, 2010 1. https://doi.org/10.3998/ARK.5550190.0011.A22
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
[HazardClass ]

IRRITANT
[HS Code ]

2933790002
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

4-Isobutyl-2-pyrrolidinone(61312-87-6)1HNMR
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