106263-53-0 | 3-Oxo-3-(4-trifluoromethylphenyl)propionic acid ethyl ester

Packsize	Purity	Availability	Price	Discounted Price
1g	96%	in stock	$16.00	$12.00
5g	96%	in stock	$55.00	$39.00
10g	96%	in stock	$88.00	$62.00

Description

• Catalog Number: AB73445
• Chemical Name: 3-Oxo-3-(4-trifluoromethylphenyl)propionic acid ethyl ester
• CAS Number: 106263-53-0
• Molecular Formula: C12H11F3O3
• Molecular Weight: 260.20914959999993
• MDL Number: MFCD03424818
• SMILES: CCOC(=O)CC(=O)c1ccc(cc1)C(F)(F)F

Computed Properties

• Complexity: 304
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• XLogP3: 2.8

Upstream Synthesis Route

Ethyl 3-oxo-3-(4-(trifluoromethyl)phenyl)propanoate is a versatile compound widely used in chemical synthesis. This compound serves as a key building block in organic chemistry, particularly in the synthesis of various pharmaceuticals, agrochemicals, and other fine chemicals. Its unique structure, incorporating a trifluoromethyl group and a ketone functionality, imparts valuable properties that can be exploited in the design and development of new molecules.In chemical synthesis, Ethyl 3-oxo-3-(4-(trifluoromethyl)phenyl)propanoate is commonly utilized as a precursor for the introduction of the trifluoromethylphenyl moiety into target molecules. The trifluoromethyl group is known for its ability to enhance the biological activity and metabolic stability of pharmaceutical compounds, making this building block highly desirable for drug discovery and development.Furthermore, the ketone functionality in Ethyl 3-oxo-3-(4-(trifluoromethyl)phenyl)propanoate allows for versatile functional group transformations, enabling chemists to introduce a wide range of substituents and modifications to tailor the properties of the final compound. This compound can be selectively manipulated through various synthetic strategies, including condensation reactions, reduction processes, and functional group interconversions, to generate structurally diverse and biologically relevant molecules.Overall, Ethyl 3-oxo-3-(4-(trifluoromethyl)phenyl)propanoate is a valuable tool in the hands of synthetic chemists, offering unique reactivity and substituent patterns that can be harnessed to access a myriad of compounds with potential applications in drug discovery, material science, and other areas of chemical research.