Ethyl 3-(4-fluorophenyl)-3-oxopropanoate
Synonym(s):(p-Fluorobenzoyl)acetic acid ethyl ester;4-Fluoro-?-oxobenzenepropanoic acid ethyl ester;Ethyl 3-(4-fluorophenyl)-3-oxopropionate;Ethyl 4-fluorobenzoylacetate
- CAS NO.：1999-00-4
- Empirical Formula: C11H11FO3
- Molecular Weight: 210.2
- MDL number: MFCD03093631
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is Ethyl 3-(4-fluorophenyl)-3-oxopropanoate?
Chemical properties
Colorless liquid
The Uses of Ethyl 3-(4-fluorophenyl)-3-oxopropanoate
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
What are the applications of Application
Ethyl (4-fluorobenzoyl)acetate is a synthetic reagent precursor
General Description
Ethyl (4-fluorobenzoyl)acetate on condensation with benzofurazan oxide yields 2-(carboethoxy)-3-(4′-fluoro)phenylquinoxaline1,4-dioxide.
Properties of Ethyl 3-(4-fluorophenyl)-3-oxopropanoate
| Melting point: | 117-120℃ |
| Boiling point: | 117-120 °C(lit.) |
| Density | 1.174 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point: | >230 °F |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | clear liquid |
| pka | 9.82±0.25(Predicted) |
| Specific Gravity | 1.19 |
| color | Colorless to Almost colorless |
| CAS DataBase Reference | 1999-00-4(CAS DataBase Reference) |
Safety information for Ethyl 3-(4-fluorophenyl)-3-oxopropanoate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P312:Call a POISON CENTER or doctor/physician if you feel unwell. P321:Specific treatment (see … on this label). P302+P352:IF ON SKIN: wash with plenty of soap and water. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Ethyl 3-(4-fluorophenyl)-3-oxopropanoate
| InChIKey | SJUXLKYJKQBZLM-UHFFFAOYSA-N |
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