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CAS 51725-81-6

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Ethyl 2,4-dimethyl-β-oxobenzenepropanoate

Description:
Ethyl 2,4-dimethyl-β-oxobenzenepropanoate, identified by its CAS number 51725-81-6, is an organic compound that belongs to the class of esters. This substance features a propanoate functional group, which is derived from propanoic acid, and is characterized by the presence of a benzene ring substituted with two methyl groups at the 2 and 4 positions, as well as a β-oxoketone moiety. The molecular structure contributes to its potential applications in organic synthesis and as an intermediate in the production of various chemical compounds. Ethyl 2,4-dimethyl-β-oxobenzenepropanoate is typically a colorless to pale yellow liquid with a pleasant odor, and it is soluble in organic solvents. Its reactivity is influenced by the ester and ketone functionalities, making it a versatile compound in chemical reactions, including condensation and acylation processes. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken.
Formula:C13H16O3
InChI:InChI=1S/C13H16O3/c1-4-16-13(15)8-12(14)11-6-5-9(2)7-10(11)3/h5-7H,4,8H2,1-3H3
InChI key:InChIKey=CVDODYMUMJOSGP-UHFFFAOYSA-N
SMILES:C(CC(OCC)=O)(=O)C1=C(C)C=C(C)C=C1
Synonyms:
  • Benzenepropanoic acid, 2,4-dimethyl-β-oxo-, ethyl ester
  • Ethyl (2,4-dimethylbenzoyl)acetate
  • Ethyl 2-(2,4-dimethylbenzoyl)acetate
  • Ethyl 2,4-dimethyl-β-oxobenzenepropanoate
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