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CAS 898780-38-6

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Ethyl 4-[3-(3,5-dimethylphenyl)-1-oxopropyl]benzoate

Description:
Ethyl 4-[3-(3,5-dimethylphenyl)-1-oxopropyl]benzoate, with the CAS number 898780-38-6, is an organic compound that belongs to the class of esters. It features a benzoate moiety, which is characterized by a benzene ring attached to a carboxylate group, and an ethyl group that contributes to its ester functionality. The compound contains a propyl chain with a ketone functional group, which is substituted with a 3,5-dimethylphenyl group, adding to its complexity and potentially influencing its reactivity and solubility. Ethyl esters like this compound are often used in organic synthesis and can serve as intermediates in the production of pharmaceuticals or agrochemicals. The presence of multiple aromatic and aliphatic groups suggests that it may exhibit interesting physical properties, such as moderate volatility and solubility in organic solvents. Additionally, the specific arrangement of substituents can affect its biological activity, making it a candidate for further research in medicinal chemistry.
Formula:C20H22O3
InChI:InChI=1S/C20H22O3/c1-4-23-20(22)18-8-6-17(7-9-18)19(21)10-5-16-12-14(2)11-15(3)13-16/h6-9,11-13H,4-5,10H2,1-3H3
InChI key:InChIKey=SUVXAVYTCMGEIO-UHFFFAOYSA-N
SMILES:C(CCC1=CC(C)=CC(C)=C1)(=O)C2=CC=C(C(OCC)=O)C=C2
Synonyms:
  • Benzoic acid, 4-[3-(3,5-dimethylphenyl)-1-oxopropyl]-, ethyl ester
  • Ethyl 4-[3-(3,5-dimethylphenyl)-1-oxopropyl]benzoate
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