Ethyl 3-(4-fluorophenyl)-3-oxopropanoate
- Product Name
- Ethyl 3-(4-fluorophenyl)-3-oxopropanoate
- CAS No.
- 1999-00-4
- Chemical Name
- Ethyl 3-(4-fluorophenyl)-3-oxopropanoate
- Synonyms
- ETHYL 4-FLUOROBENZOYLACETATE;Ethyl-4-FluorobenzoyalAcetate;ETHYL (P-FLUOROBENZOYL)ACETATE;Ethyl(4-Fluorobenzoyl)acetate>3-(4'-Fluorophenyl)-3-oxopropanoate;Ethyl (4-fluorobenzoyl)acetate, 99%;Ethyl (4-Fluorobenzoyl)acetate, 96%+;Ethyl (4-Fluorobenzoyl)acetate, >=97%;Ethyl 4-fluoro-β-oxobenzenepropanoate;p-Fluorobenzoylacetic acid ethyl ester
- CBNumber
- CB2480433
- Molecular Formula
- C11H11FO3
- Formula Weight
- 210.2
- MOL File
- 1999-00-4.mol
Ethyl 3-(4-fluorophenyl)-3-oxopropanoate Property
- 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.)
- 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
- InChI
- InChI=1S/C11H11FO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
- InChIKey
- SJUXLKYJKQBZLM-UHFFFAOYSA-N
- SMILES
- C1(=CC=C(F)C=C1)C(=O)CC(=O)OCC
- CAS DataBase Reference
- 1999-00-4(CAS DataBase Reference)
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P321Specific treatment (see … on this label).
N-Bromosuccinimide Price
- Product number
- 146293
- Product name
- Ethyl (4-fluorobenzoyl)acetate
- Packaging
- 5g
- Price
- $209.3
- Updated
- 2025/07/31
- Product number
- 146293
- Product name
- Ethyl (4-fluorobenzoyl)acetate
- Packaging
- 1g
- Price
- $63.4
- Updated
- 2023/06/20
- Product number
- F0435
- Product name
- Ethyl (4-Fluorobenzoyl)acetate
- Purity
- >98.0%(GC)(T)
- Packaging
- 1g
- Price
- $76
- Updated
- 2025/07/31
- Product number
- F0435
- Product name
- Ethyl (4-Fluorobenzoyl)acetate
- Purity
- >98.0%(GC)(T)
- Packaging
- 5g
- Price
- $227
- Updated
- 2025/07/31
- Product number
- F0435
- Product name
- Ethyl (4-Fluorobenzoyl)acetate
- Purity
- >98.0%(GC)(T)
- Packaging
- 25g
- Price
- $855
- Updated
- 2025/07/31
Ethyl 3-(4-fluorophenyl)-3-oxopropanoate Chemical Properties,Usage,Production
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.
Synthesis
403-42-9
105-58-8
1999-00-4
(Step 1) Diethyl carbonate (47.4 mL, 391 mmol) and sodium hydride (55 wt% paraffin oil dispersion, 23.7 g, 543 mmol) were sequentially added to a suspension of tetrahydrofuran (THF) at 60 °C, followed by slow addition of 4'-fluoroacetophenone (26.4 mL, 271 mmol). The reaction mixture was heated to reflux for 1 h. After cooling to room temperature, it was slowly poured into a mixture of acetic acid (33.6 mL, 586 mmol) and ice water (1 L). The reaction mixture was extracted with ether (2×500 mL), and the organic layer was washed with saturated aqueous sodium bicarbonate and saturated brine sequentially, dried over anhydrous sodium sulfate, and then the solvent was concentrated under reduced pressure to afford ethyl 3-(4-fluorophenyl)-3-oxopropanoate as a yellow oil (45.7 g, 100% yield, ketone formula: enol formula = 5:1). The product was characterized by 1H-NMR (400 MHz, CDCl3): keto formula: δ 1.26 (3H, t, J=7.2 Hz), 3.97 (3H, s), 4.22 (2H, q, J=7.2 Hz), 7.13-7.19 (2H, m), 7.96-8.01 (2H, m); enol formula: δ 1.34 (0.6H, t, J =7.2 Hz), 4.27 (0.4H, q, J=7.2 Hz), 5.61 (0.2H, s), 7.08-7.12 (0.4H, m), 7.76-7.80 (0.4H, m), 12.62 (0.2H, s).
References
[1] Molecules, 2004, vol. 9, # 3, p. 135 - 157
[2] Patent: EP2738170, 2014, A1. Location in patent: Paragraph 0465
[3] Tetrahedron Letters, 2014, vol. 55, # 14, p. 2212 - 2216
[4] Patent: US2014/213571, 2014, A1. Location in patent: Paragraph 0780
[5] Patent: EP1362846, 2003, A1. Location in patent: Page/Page column 41
Ethyl 3-(4-fluorophenyl)-3-oxopropanoate Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Ethyl 3-(4-fluorophenyl)-3-oxopropanoate manufacturers
- Product
- Ethyl 3-(4-fluorophenyl)-3-oxopropanoate 1999-00-4
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 20 mt
- Release date
- 2024-11-25
- Product
- Ethyl 3-(4-fluorophenyl)-3-oxopropanoate 1999-00-4
- Price
- US $500.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 1ton
- Release date
- 2018-08-04