Ethyl 2-oxopyrrolidine-1-acetate

HCID 109094

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 61516-73-2
Standard SMILES: CCOC(=O)CN1CCCC1=O
InChIKey: AQZWKPDVWWJWRY-UHFFFAOYSA-N
Molecular formula: C8H13NO3
Average molar mass: 171.19 g/mol
Monoisotopic mass: 171.08954328

Names & identifiers

Preferred name: Ethyl 2-oxopyrrolidine-1-acetate
IUPAC: ethyl 2-(2-oxopyrrolidin-1-yl)acetate
English name: ethyl 2-oxopyrrolidine-1-acetate
Molecular formula: C8H13NO3
Molecular weight: 171.19

Names & synonyms

61516-73-2Ethyl 2-oxopyrrolidine-1-acetateethyl 2-oxo-1-pyrrolidineacetate1-Pyrrolidineacetic acid, 2-oxo-, ethyl esterU66HEM72LHEINECS 262-828-0EC 262-828-0ETHYL (2-OXO-1-PYRROLIDINYL)ACETATERefChem:594511262-828-0ethyl 2-(2-oxopyrrolidin-1-yl)acetateETHYL (2-OXOPYRROLIDIN-1-YL)ACETATE

Show more names

Piracetam Impurity CPiracetam Impuirty CPiracetam Impurity 3ethyl 2-oxo-1-pyrrolyidineacetate1-(Ethoxycarbonylmethyl)-2-pyrrolidone

Piracetam EP Impurity CMFCD00090741DTXSID7057785Ethyl 2-oxopyrrolidin-2-ylacetateEthyl 2-(2-Oxopyrrolidin-1-yl)acetate (80%)1-Pyrrolidineaceticacid, 2-oxo-, ethyl esterUNII-U66HEM72LHSCHEMBL668453

Database identifiers

CAS: 61516-73-2
PubChem CID: 109094
DTXSID: DTXSID7057785
ChEMBL: CHEMBL3561452
UNII: U66HEM72LH
EC Number: 262-828-0
Nikkaji: J279.652J

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 191

Physicochemical properties

Boiling point: 108 · 108-113 °C(Press: 1-2 Torr)
Density: 1.138 · 1.138±0.06 g/cm3(Predicted)
refractive index: 1.467 · 1.4670 (20℃)
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
pka: -0.79 · -0.79±0.20(Predicted)
form: Oil
color: Colourless to Yellow
FDA UNII: 66 HEM72LH · U66HEM72LH
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 501 · P501-P260-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 25-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19148

Safety data

Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314
REACH Registrations: Active
Precautionary statements: P501-P260-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405

Chemistry & industry

Applications

UsesEthyl 2-(2-oxopyrrolidin-1-yl)acetate is a reagent in the preparation of N-substituted-2-oxopyrrolidinylacetamides which have anticonvulsant activities.