Ethyl (4-fluorobenzoyl)acetate
Ethyl (4-fluorobenzoyl)acetate (CAS: 1999-00-4) is an organic compound with the linear formula FC₆H₄COCH₂CO₂C₂H₅ and a molecular weight of 210.20 g/mol. This fluorinated building block is a versatile reactant used in various organic syntheses. Its primary applications involve serving as a precursor in condensation, cyclization, and cross-coupling reactions for the development of complex molecules, including potential pharmaceutical intermediates.
- IUPAC
- (p-Fluorobenzoyl)acetic acid ethyl ester,4-Fluoro-ß-oxobenzenepropanoic acid ethyl ester,Ethyl 3-(4-fluorophenyl)-3-oxopropionate,Ethyl 4-fluorobenzoylacetate
- Synonyms
- Ethyl 4-fluorobenzoylacetateEthyl 3-(4-fluorophenyl)-3-oxopropionate(p-Fluorobenzoyl)acetic acid ethyl ester4-Fluoro-ß-oxobenzenepropanoic acid ethyl ester
Synthesis of Benzimidazoles and Perimidines
It acts as a reactant in condensation reactions with diamines, leading to C-C bond cleavage and the formation of benzimidazoles and perimidines, which have shown potential as antimalarial agents.
Production of Hydroxybenzophenones
This compound is employed in base-promoted domino reactions, specifically Michael addition followed by cyclization and elimination, to synthesise valuable hydroxybenzophenone derivatives.
Cross-Coupling Reactions with Indoles
Ethyl (4-fluorobenzoyl)acetate can participate in oxidative cross-coupling reactions with indoles, facilitated by dioxygen activation, for the creation of novel organic structures.
Synthesis of Pyrone Derivatives
It serves as a key intermediate in the cyclization of keto esters, enabling the synthesis of pyrone compounds.
Preparation of Amino Acid Derivatives
Through Lewis base-catalyzed hydrosilylation, this ester can be transformed into α-acetoxy β-amino acid derivatives.
Conia-Ene Reactions
The compound is utilised in Conia-ene reactions, facilitating the synthesis of methylenecyclopentane derivatives.
| Molecular weight | 210.20 |
|---|---|
| Linear formula | FC6H4COCH2CO2C2H5 |
| Boiling point | 117-120 °C(lit.) |
| Density | 1.174 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.5040(lit.) |
| Application | Reactant used as a precursor in:• Condensation reactions with diamines via C-C bond cleavage for synthesis of benzimidazoles and perimidines1 for possible use as antimalarial treatments2• Base-promoted domino Michael addition / cyclization / elimination reactions for synthesis of hydroxybenzophenones3• Oxidative cross-coupling with indoles via dioxygen activation4• Cyclization of keto esters for synthesis of pyrones5• Lewis base catalyzed hydrosilylation for synthesis of α-acetoxy β-amino acid derivatives6• Conia-ene reactions for synthesis of methylenecyclopentane derivatives7 |
| Protective equipment | Eyeshields, Gloves |
|---|---|
| Water hazard class (WGK, DE) | 3 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is Ethyl (4-fluorobenzoyl)acetate used for?
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Ethyl (4-fluorobenzoyl)acetate (CAS: 1999-00-4) is used as a versatile reactant and precursor in various organic syntheses, including the preparation of benzimidazoles, hydroxybenzophenones, pyrones, and amino acid derivatives.
What is the CAS number and formula for Ethyl (4-fluorobenzoyl)acetate?
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The CAS number is 1999-00-4, and its linear formula is FC₆H₄COCH₂CO₂C₂H₅.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Ethyl (4-fluorobenzoyl)acetate typically at a minimum purity of 98%. This product is supplied for research and development or further manufacturing purposes, and TSS does not represent it as USP, BP, EP, or other pharmacopoeia grades.
What are the safety and handling precautions for Ethyl (4-fluorobenzoyl)acetate?
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Ethyl (4-fluorobenzoyl)acetate is classified under WGK Germany 3, indicating a high hazard to water. Appropriate personal protective equipment, including eyeshields and gloves, should be worn when handling this chemical to avoid contact.
How is Ethyl (4-fluorobenzoyl)acetate packed, shipped, and exported?
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Ethyl (4-fluorobenzoyl)acetate is carefully packed according to international shipping regulations and is available for export globally by Tech Serve Solutions, a trusted supplier since 1998.
How can I request a quote or sample of Ethyl (4-fluorobenzoyl)acetate?
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To request a quote or sample of Ethyl (4-fluorobenzoyl)acetate, please contact our sales team through the website or by phone, providing your specific requirements and shipping details.
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