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CAS 898769-23-8

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

Description:
Ethyl 3-[3-(2,3-dimethylphenyl)-1-oxopropyl]benzoate, identified by its CAS number 898769-23-8, 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 dimethylphenyl group, contributing to its unique chemical properties. Ethyl esters like this one are typically characterized by their moderate volatility and solubility in organic solvents, making them useful in various applications, including as intermediates in organic synthesis and potential pharmaceutical compounds. The presence of the dimethylphenyl group may influence its reactivity and interaction with biological systems, potentially affecting its pharmacokinetic properties. Additionally, the compound's structure suggests it may exhibit specific stereochemical configurations, which can play a crucial role in its biological activity. Overall, this compound exemplifies the complexity and diversity of organic molecules, particularly in the context of medicinal chemistry and synthetic applications.
Formula:C20H22O3
InChI:InChI=1S/C20H22O3/c1-4-23-20(22)18-10-6-9-17(13-18)19(21)12-11-16-8-5-7-14(2)15(16)3/h5-10,13H,4,11-12H2,1-3H3
InChI key:InChIKey=BJIKAHKPHGPVGF-UHFFFAOYSA-N
SMILES:C(CCC1=C(C)C(C)=CC=C1)(=O)C2=CC(C(OCC)=O)=CC=C2
Synonyms:
  • Benzoic acid, 3-[3-(2,3-dimethylphenyl)-1-oxopropyl]-, ethyl ester
  • Ethyl 3-[3-(2,3-dimethylphenyl)-1-oxopropyl]benzoate
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