Ethyl (4-fluorobenzoyl)acetate
ALDRICH/146293
Synonym: (p-Fluorobenzoyl)acetic acid ethyl ester; 4-
CAS Number: 1999-00-4
Empirical Formula (Hill Notation): C11H11FO3
Molecular Weight: 210.20
MDL Number: MFCD03093631
Linear Formula: FC6H4COCH2CO2C2H5
Product Type: Chemical
| bp | 117-120 °C (lit.) |
| density | 1.174 g/mL at 25 °C (lit.) |
| functional group | ester |
| fluoro | |
| ketone | |
| InChI | 1S/C11H11FO3/c1-2-15-11(1 |
| InChI key | SJUXLKYJKQBZLM-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CCOC(=O)CC(=O)c1ccc(F)cc1 |
| Application: | 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′-flu |
| Packaging: | 1, 5 g in glass bottle |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| bp | 117-120 °C (lit.) |
| Density | 1.174 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |