CAS 898751-69-4
:ethyl 4-(3,5-dimethylphenyl)-4-oxo-butanoate
Description:
Ethyl 4-(3,5-dimethylphenyl)-4-oxo-butanoate, identified by its CAS number 898751-69-4, is an organic compound characterized by its ester functional group and a ketone moiety. This compound features a butanoate backbone, which is modified by a phenyl group substituted with two methyl groups at the 3 and 5 positions, contributing to its unique structural and chemical properties. The presence of the ethyl ester group suggests that it is likely to be a liquid at room temperature, with potential applications in organic synthesis or as an intermediate in the production of pharmaceuticals or agrochemicals. Its molecular structure may impart specific reactivity patterns, making it of interest in various chemical reactions, such as condensation or acylation. Additionally, the presence of the ketone functional group indicates potential for further transformations, including reduction or nucleophilic addition. As with many organic compounds, safety and handling precautions should be observed, particularly regarding its reactivity and potential toxicity.
Formula:C14H18O3
InChI:InChI=1/C14H18O3/c1-4-17-14(16)6-5-13(15)12-8-10(2)7-11(3)9-12/h7-9H,4-6H2,1-3H3
SMILES:CCOC(=O)CCC(=O)c1cc(C)cc(C)c1
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