Ethyl (3-bromobenzoyl)acetate
Ethyl (3-bromobenzoyl)acetate (CAS: 21575-91-7) is a chemical compound with the molecular formula BrC₆H₄COCH₂CO₂C₂H₅ and a molecular weight of 271.11 g/mol. It is an organic building block and an ester, commonly used as a reactant in the synthesis of complex organic molecules, including pharmaceutical intermediates and novel chemical entities. Its structure features both a ketone and an ester functional group, making it versatile for various chemical transformations.
- IUPAC
- 3-Bromo-ß-oxo-benzenepropanoic acid ethyl ester,Ethyl 3-(3-bromophenyl)-3-oxopropanoate
- Synonyms
- 3-Bromo-ß-oxo-benzenepropanoic acid ethyl esterEthyl 3-(3-bromophenyl)-3-oxopropanoate
Synthesis of Aroylbenzoxepinones
This compound serves as a key reactant in the synthesis of aroylbenzoxepinones, which have demonstrated analgesic activity. The specific chemical transformations allow for the construction of the benzoxepinone core structure.
Development of Kinase Inhibitors
It is employed in the preparation of pyrrole derivatives that exhibit Cdc7 kinase inhibitory activity. This application highlights its utility in medicinal chemistry for drug discovery programs targeting specific enzymes.
Preparation of Sirtuin Inhibitors
Ethyl (3-bromobenzoyl)acetate is used in the synthesis of cambinol analogs. These analogs are investigated for their potential as sirtuin inhibitors with antitumor activity, contributing to cancer research.
Ligand Synthesis for Asymmetric Hydrogenation
The compound is a precursor in the synthesis of TunePhos-type diphosphine ligands. These ligands are valuable in asymmetric hydrogenation reactions, enabling the stereoselective production of chiral compounds.
| Molecular weight | 271.11 |
|---|---|
| Linear formula | BrC6H4COCH2CO2C2H5 |
| Assay | 95% |
| Boiling point | 255-256 °C(lit.) |
| Density | 1.416 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.565(lit.) |
| Application | Reactant involved in synthesis of: • Aroylbenzoxepinones for analgesic activity1• (Heteroaryl)(carboxamido)arylpyrrole derivatives with Cdc7 kinase inhibitory activity2• Cambinol analogs for sirtuin inhibition and antitumor activity3• TunePhos-type diphosphine ligands via asymmetric hydrogenation4 |
| 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 (3-bromobenzoyl)acetate used for?
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Ethyl (3-bromobenzoyl)acetate is used as a reactant in the synthesis of various organic molecules, including aroylbenzoxepinones with analgesic activity, pyrrole derivatives with Cdc7 kinase inhibitory activity, cambinol analogs for sirtuin inhibition and antitumor activity, and TunePhos-type diphosphine ligands.
What are the CAS number and formula for Ethyl (3-bromobenzoyl)acetate?
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The CAS number for Ethyl (3-bromobenzoyl)acetate is 21575-91-7 and its linear formula is BrC₆H₄COCH₂CO₂C₂H₅.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Ethyl (3-bromobenzoyl)acetate with a minimum assay of 95%. This product is a research-grade chemical and is not represented as USP, BP, EP, or any other pharmacopoeial standard.
What are the safety and handling precautions for this compound?
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When handling Ethyl (3-bromobenzoyl)acetate, it is essential to wear appropriate personal protective equipment, including eyeshields and gloves. The compound has a WGK Germany classification of 3, indicating a significant hazard to water.
How is Ethyl (3-bromobenzoyl)acetate packed, shipped, and exported?
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Tech Serve Solutions ensures that all products, including Ethyl (3-bromobenzoyl)acetate, are packed, shipped, and exported in compliance with relevant international regulations for chemical substances.
How can I request a quote or sample of Ethyl (3-bromobenzoyl)acetate?
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To request a quote or a sample of Ethyl (3-bromobenzoyl)acetate, please contact the Tech Serve Solutions sales team through our website or by telephone, providing the product name and CAS number.
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