| Identification | Back Directory | [Name]
4-(4-FLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER | [CAS]
221121-37-5 | [Synonyms]
4-(4-Fluorophenyl)-3-oxobutanoic acid ethyl ester
Benzenebutanoic acid, 4-fluoro-β-oxo-, ethyl ester
4-(4-FLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER | [Molecular Formula]
C12H13FO3 | [MDL Number]
MFCD03844416 | [MOL File]
221121-37-5.mol | [Molecular Weight]
224.23 |
| Chemical Properties | Back Directory | [Boiling point ]
295.5±20.0 °C(Predicted) | [density ]
1.161±0.06 g/cm3(Predicted) | [pka]
10.35±0.46(Predicted) | [InChI]
InChI=1S/C12H13FO3/c1-2-16-12(15)8-11(14)7-9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3 | [InChIKey]
QCQKQRINQDBSEZ-UHFFFAOYSA-N | [SMILES]
C(C1C=CC(F)=CC=1)C(=O)CC(=O)OCC |
| Hazard Information | Back Directory | [Uses]
Ethyl 4-(4-Fluorophenyl)-3-oxobutanoate is used in the synthesis of novel pyridinone derivatives as non-nucleoside reverse transcriptase inhibitors with high potency against NNRTI-resistant HIV-1 strains. Also used in the structural evaluation of 2-substituted 5-hydroxyindole 3-carboxylates as potent inhibitors of human 5-lipoxygenase. |
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