CAS 898778-99-9

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

Description:

Ethyl 2-[3-(3,4-dimethylphenyl)-1-oxopropyl]benzoate, with the CAS number 898778-99-9, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and an ethyl alcohol moiety. This compound features a complex structure that includes a benzoate backbone and a propanoyl side chain substituted with a 3,4-dimethylphenyl group. The presence of the dimethylphenyl group contributes to its hydrophobic characteristics, while the ester functionality enhances its solubility in organic solvents. Ethyl 2-[3-(3,4-dimethylphenyl)-1-oxopropyl]benzoate may exhibit interesting biological activities, making it of potential interest in pharmaceutical research. Its molecular structure suggests it could participate in various chemical reactions, including hydrolysis and transesterification. Additionally, the compound's stability and reactivity can be influenced by the steric and electronic effects of the substituents on the aromatic rings. Overall, this compound represents a unique structure that may have applications in organic synthesis and medicinal chemistry.

Formula: C₂₀H₂₂O₃

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

InChI key: InChIKey=ZVHRRRYXDCTUBU-UHFFFAOYSA-N

SMILES: C(CCC1=CC(C)=C(C)C=C1)(=O)C2=C(C(OCC)=O)C=CC=C2

Synonyms:

• Benzoic acid, 2-[3-(3,4-dimethylphenyl)-1-oxopropyl]-, ethyl ester
• Ethyl 2-[3-(3,4-dimethylphenyl)-1-oxopropyl]benzoate

2′-carboethoxy-3-(3,4-dimethylphenyl)propiophenone

CAS: 898778-99-9

Formula: C₂₀H₂₂O₃

Purity: 97.0%

Molecular weight: 310.393

Ref: 10-F206581