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CAS 898769-26-1

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

Description:
Ethyl 4-[3-(2,3-dimethylphenyl)-1-oxopropyl]benzoate, identified by its CAS number 898769-26-1, 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 propanoyl group substituted with a 2,3-dimethylphenyl group, contributing to its unique chemical properties. Ethyl 4-[3-(2,3-dimethylphenyl)-1-oxopropyl]benzoate is likely to exhibit moderate solubility in organic solvents due to its hydrophobic aromatic components, while its ester functionality may allow for some degree of reactivity, particularly in hydrolysis or transesterification reactions. The presence of the dimethylphenyl group may influence its steric and electronic properties, potentially affecting its reactivity and interactions in various chemical environments. This compound may find applications in organic synthesis, pharmaceuticals, or as an intermediate in the production of more complex molecules. However, specific safety and handling guidelines should be followed, as with all chemical substances.
Formula:C20H22O3
InChI:InChI=1S/C20H22O3/c1-4-23-20(22)18-10-8-17(9-11-18)19(21)13-12-16-7-5-6-14(2)15(16)3/h5-11H,4,12-13H2,1-3H3
InChI key:InChIKey=MRYZPFFXUNAEQN-UHFFFAOYSA-N
SMILES:C(CCC1=C(C)C(C)=CC=C1)(=O)C2=CC=C(C(OCC)=O)C=C2
Synonyms:
  • Ethyl 4-[3-(2,3-dimethylphenyl)-1-oxopropyl]benzoate
  • Benzoic acid, 4-[3-(2,3-dimethylphenyl)-1-oxopropyl]-, ethyl ester
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