Ethyl (3-chlorobenzoyl)acetate

CAS 33167-21-4ClC6H4COCH2CO2C2H5Chemical Synthesis

Ethyl (3-chlorobenzoyl)acetate (CAS: 33167-21-4) is an organic compound with the linear formula ClC₆H₄COCH₂CO₂C₂H₅ and a molecular weight of 226.66 g/mol. This ester, a derivative of 3-chlorobenzoic acid, serves as a valuable building block in organic synthesis. It is frequently employed as a reactant in various chemical transformations, including oxidative coupling, chlorination, and cyclisation reactions, contributing to the synthesis of complex organic molecules.

IUPAC: 3-Chloro-ß-oxobenzenepropanoic acid ethyl ester,Ethyl 3-(3-chlorophenyl)-3-oxopropanoate
Synonyms: 3-Chloro-ß-oxobenzenepropanoic acid ethyl esterEthyl 3-(3-chlorophenyl)-3-oxopropanoate

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Ethyl (3-chlorobenzoyl)acetate (ClC6H4COCH2CO2C2H5) — chemical structure, CAS 33167-21-4; Chemistry, fine chemical supplied by Tech Serve Solutions

Building BlocksC10 to C11Carbonyl CompoundsChemical SynthesisEsters

01 /Applications

Precursor in Organic Synthesis

This compound acts as a key intermediate in the synthesis of diverse organic molecules. Its structure facilitates participation in various reactions, enabling the construction of more complex chemical entities.

Role in Oxidative Cross-Coupling

Ethyl (3-chlorobenzoyl)acetate is utilised in oxidative cross-coupling reactions, often involving dioxygen activation. This application is significant in forming new carbon-carbon bonds, contributing to the development of novel compounds.

Synthesis of Heterocycles

The compound participates in intramolecular cyclisation reactions, leading to the formation of valuable heterocyclic structures such as dihydrofurans, which are important motifs in medicinal chemistry.

Reagent in Stereoselective Reductions

It serves as a precursor for substrates in stereoselective reduction processes catalysed by chiral Lewis bases, enabling the synthesis of enantiomerically enriched products.

02 /Properties

Molecular weight	226.66
Linear formula	ClC6H4COCH2CO2C2H5
Assay	≥97%
Boiling point	257-258 °C(lit.)
Density	1.213 g/mL at 25 °C(lit.)
Refractive index	n20/D 1.5460(lit.)
Application	Reagent / reactant involved in:• Oxidative cross-coupling via dioxygen activation with indoles1• Chlorination and hydrosilylation for synthesis of α-hydroxy β-amino acid derivatives2• Precursor for substrates for chiral Lewis base-catalyzed stereoselective reduction with trichlorosilane and water3• Intramolecular cyclization for synthesis of dihydrofurans4• Rate acceleration of Michael reactions5• Cerium ammonium nitrate-mediated oxidative coupling6

03 /Safety & handling

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.

04 /Identifiers & registry

CAS number

33167-21-4

MDL number

MFCD03424810

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-chlorobenzoyl)acetate used for?

Ethyl (3-chlorobenzoyl)acetate is primarily used as a building block and reactant in organic synthesis for applications such as oxidative cross-coupling, chlorination, hydrosilylation, stereoselective reduction, and the synthesis of dihydrofurans.

What is the CAS number and formula for Ethyl (3-chlorobenzoyl)acetate?

The CAS number is 33167-21-4, and its linear formula is ClC₆H₄COCH₂CO₂C₂H₅.

What grade and purity does Tech Serve Solutions supply?

Tech Serve Solutions supplies Ethyl (3-chlorobenzoyl)acetate with an assay of ≥97%. We do not represent this product as USP, BP, or EP grade.

What safety precautions should be taken when handling Ethyl (3-chlorobenzoyl)acetate?

Appropriate personal protective equipment, including eyeshields and gloves, should be worn when handling this compound. Refer to the Safety Data Sheet for comprehensive handling information.

How is Ethyl (3-chlorobenzoyl)acetate shipped and exported?

Tech Serve Solutions is an experienced global supplier and exporter of fine chemicals. Specific shipping and export details can be provided upon request, adhering to all relevant regulations.