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2881-63-2

2881-63-2 Structure

2881-63-2 Structure
IdentificationMore
[Name]

3-(4-CHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
[CAS]

2881-63-2
[Synonyms]

3-(4-CHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
ETHYL 3-(4-CHLOROPHENYL)-3-OXOPROPANOATE
ETHYL (4-CHLOROBENZOYL)ACETATE
[Molecular Formula]

C11H11ClO3
[MDL Number]

MFCD00018713
[Molecular Weight]

226.66
[MOL File]

2881-63-2.mol
Chemical PropertiesBack Directory
[Melting point ]

38 °C(Solv: ethanol (64-17-5))
[Boiling point ]

268-269 °C(lit.)
[density ]

1.218 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.5500(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Acetone
[form ]

powder to lump
[pka]

9.56±0.25(Predicted)
[color ]

White to Orange to Green
[InChI]

InChI=1S/C11H11ClO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
[InChIKey]

DGCZHKABHPDNCC-UHFFFAOYSA-N
[SMILES]

C1(C=CC(Cl)=CC=1)C(=O)CC(=O)OCC
[CAS DataBase Reference]

2881-63-2(CAS DataBase Reference)
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

2918300090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Ethyl (4-chlorobenzoyl)acetate may be used to synthesize 2-(carboethoxy)-3-(4′-chloro)phenylquinoxaline 1,4-dioxide.
[Synthesis]

3-(4-Chloro-phenyl)-3-oxo-propionic acid ethyl ester can be prepared from 4-chlorobenzoic acid.
To a solution of 4-chlorobenzoic acid (30.0 g, 0.192 mol) in DCM (250 mL) was added oxalyl chloride (25 mL, 0.288 mol) and then DMF (0.5 mL) was added

Spectrum DetailBack Directory
[Spectrum Detail]

3-(4-CHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER(2881-63-2)1HNMR
3-(4-CHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER(2881-63-2)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2881-63-2(sigmaaldrich)
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