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ChemicalBook--->CAS DataBase List--->1999-00-4

1999-00-4

1999-00-4 Structure

1999-00-4 Structure
IdentificationMore
[Name]

Ethyl 3-(4-fluorophenyl)-3-oxopropanoate
[CAS]

1999-00-4
[Synonyms]

3-(4-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
(4-FLUOROBENZOYL)ACETIC ACID ETHYL ESTER
ETHYL 3-(4-FLUOROPHENYL)-3-OXOPROPANOATE
ETHYL 3-(4'-FLUOROPHENYL)-3-OXOPROPNOATE
ETHYL 4-FLUOROBENZOYLACETATE
ETHYL (P-FLUOROBENZOYL)ACETATE
3-(4'-Fluorophenyl)-3-oxopropanoate
3-Oxo-3-(4-fluorophenyl)propanoic acid ethyl ester
p-Fluorobenzoylacetic acid ethyl ester
β-Oxo-4-fluorobenzenepropionic acid ethyl ester
[Molecular Formula]

C11H11FO3
[MDL Number]

MFCD03093631
[Molecular Weight]

210.2
[MOL File]

1999-00-4.mol
Chemical PropertiesBack Directory
[Melting point ]

117-120℃
[Boiling point ]

117-120 °C(lit.)
[density ]

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

n20/D 1.5040(lit.)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

clear liquid
[pka]

9.82±0.25(Predicted)
[color ]

Colorless to Almost colorless
[Specific Gravity]

1.19
[InChIKey]

SJUXLKYJKQBZLM-UHFFFAOYSA-N
[CAS DataBase Reference]

1999-00-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Safety Statements ]

24/25
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29183000
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

Reactant used as a precursor in:
  • Condensation reactions with diamines via C-C bond cleavage for synthesis of benzimidazoles and perimidines for possible use as antimalarial treatments
  • Base-promoted domino Michael addition / cyclization / elimination reactions for synthesis of hydroxybenzophenones
  • Oxidative cross-coupling with indoles via dioxygen activation
  • Cyclization of keto esters for synthesis of pyrones
  • Lewis base catalyzed hydrosilylation for synthesis of α-acetoxy β-amino acid derivatives
  • Conia-ene reactions for synthesis of methylenecyclopentane derivatives
[General Description]

Ethyl (4-fluorobenzoyl)acetate on condensation with benzofurazan oxide yields 2-(carboethoxy)-3-(4′-fluoro)phenylquinoxaline1,4-dioxide.
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 3-(4-fluorophenyl)-3-oxopropanoate(1999-00-4)MS
Ethyl 3-(4-fluorophenyl)-3-oxopropanoate(1999-00-4)1HNMR
Ethyl 3-(4-fluorophenyl)-3-oxopropanoate(1999-00-4)13CNMR
Ethyl 3-(4-fluorophenyl)-3-oxopropanoate(1999-00-4)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1999-00-4(sigmaaldrich)
[TCI AMERICA]

Ethyl (4-Fluorobenzoyl)acetate,>98.0%(GC)(T)(1999-00-4)
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