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Ethyl (3-trifluoromethylbenzoyl)acetate

CAS 1717-42-6CF3C6H4COCH2CO2C2H5Chemical Synthesis

Ethyl (3-trifluoromethylbenzoyl)acetate (CAS: 1717-42-6), with a molecular formula of CF3C6H4COCH2CO2C2H5 and a molecular weight of 260.21 g/mol, is a valuable organic building block. This ester is primarily employed as a reactant in the synthesis of complex organic molecules, including heterocyclic compounds with potential pharmaceutical applications, such as cytotoxic agents and receptor antagonists.

IUPAC
3-(3-Trifluoromethylphenyl)-3-oxo-propionic acid ethyl ester,Ethyl 2-(3-trifluoromethylbenzoyl)acetate,Ethyl 3-(3-trifluoromethylphenyl)-3-oxopropanoate
Synonyms
3-(3-Trifluoromethylphenyl)-3-oxo-propionic acid ethyl esterEthyl 2-(3-trifluoromethylbenzoyl)acetateEthyl 3-(3-trifluoromethylphenyl)-3-oxopropanoate
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Ethyl (3-trifluoromethylbenzoyl)acetate (CF3C6H4COCH2CO2C2H5) — chemical structure, CAS 1717-42-6; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksC12 to C63Carbonyl CompoundsChemical SynthesisEsters
01 /Applications

Synthesis of Heterocyclic Compounds

This compound serves as a key intermediate in the preparation of novel heterocyclic structures. For instance, it is used in the synthesis of pyrido[1,2-a]benzimidazoles, which have shown promise as cytotoxic and antiplasmodial agents.

Preparation of Diaryl-substituted Pyrazoles

Ethyl (3-trifluoromethylbenzoyl)acetate is utilised in the synthetic routes leading to diaryl-substituted pyrazoles. These compounds have been investigated for their potent activity as CCR2 receptor antagonists.

Reactions in Organic Synthesis

The compound participates in various acid-catalyzed addition and annulation reactions, contributing to the construction of more complex molecular frameworks. It also undergoes cyclocondensation reactions with reagents like diaminophenylpyrazole.

02 /Properties
Molecular weight260.21
Linear formulaCF3C6H4COCH2CO2C2H5
Boiling point250-251 °C(lit.)
Density1.267 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.4850(lit.)
ApplicationReactant for:• Preparation of pyrido[1,2-a]benzimidazoles as cytotoxic and antiplasmodial agent1• Preparation of diaryl-substituted pyrazoles as potent CCR2 receptor antagonists2• Acid-catalyzed addition/annulation reactions3• Cyclocondensation with diaminophenylpyrazole4
03 /Safety & handling
Protective equipmentEyeshields, 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.

04 /Identifiers & registry
CAS number
1717-42-6
MDL number
MFCD03424819
05 /Quality & supply

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.

06 /Frequently asked questions

What is Ethyl (3-trifluoromethylbenzoyl)acetate used for?

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Ethyl (3-trifluoromethylbenzoyl)acetate is used as a reactant in the preparation of various organic compounds, including pyrido[1,2-a]benzimidazoles and diaryl-substituted pyrazoles, and for acid-catalyzed addition/annulation reactions.

What is the CAS number and molecular formula?

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The CAS number is 1717-42-6 and the molecular formula is CF3C6H4COCH2CO2C2H5.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies this chemical. The specific grade and purity are available upon request. We do not represent this product as USP, BP, or EP grade unless explicitly stated.

What are the safety and handling precautions?

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According to the safety data, eyeshields and gloves are recommended personal protective equipment. The compound is classified under WGK Germany 3.

How is this chemical packed, shipped, and exported?

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Tech Serve Solutions, as a specialist global supplier and exporter, handles the packing, shipping, and export of this chemical, adhering to all relevant regulations for safe and compliant transit.

How can I request a sample or quote?

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To request a sample or a quote for Ethyl (3-trifluoromethylbenzoyl)acetate, please contact our sales team through the website or by phone.

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