CAS 898754-55-7

Ethyl 4-[3-(2,6-dimethylphenyl)-1-oxopropyl]benzoate

Description:

Ethyl 4-[3-(2,6-dimethylphenyl)-1-oxopropyl]benzoate, identified by its CAS number 898754-55-7, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. This compound features a complex structure that includes a benzoate moiety and a propyl chain substituted with a 2,6-dimethylphenyl group. The presence of the dimethylphenyl group contributes to its hydrophobic characteristics, potentially influencing its solubility in organic solvents. Ethyl 4-[3-(2,6-dimethylphenyl)-1-oxopropyl]benzoate may exhibit interesting biological activities due to its structural features, making it of interest in medicinal chemistry and material science. Its synthesis typically involves esterification reactions, and it may be analyzed using techniques such as NMR spectroscopy and mass spectrometry to confirm its structure and purity. As with many organic compounds, safety data sheets should be consulted for handling and storage guidelines, as well as potential hazards associated with its use.

Formula: C₂₀H₂₂O₃

InChI: InChI=1/C20H22O3/c1-4-23-20(22)17-10-8-16(9-11-17)19(21)13-12-18-14(2)6-5-7-15(18)3/h5-11H,4,12-13H2,1-3H3

InChI key: InChIKey=UUGAPKWPBAFTID-UHFFFAOYSA-N

SMILES: C(CC(=O)C1=CC=C(C(OCC)=O)C=C1)C2=C(C)C=CC=C2C

Synonyms:

• Benzoic acid, 4-[3-(2,6-dimethylphenyl)-1-oxopropyl]-, ethyl ester
• Ethyl 4-[3-(2,6-dimethylphenyl)-1-oxopropyl]benzoate
• 4'-CARBOETHOXY-3-(2,6-DIMETHYLPHENYL)PROPIOPHENONE