CAS 78024-61-0

Methyl 2-[(1E)-3-oxo-1-propen-1-yl]benzoate

Description:

Methyl 2-[(1E)-3-oxo-1-propen-1-yl]benzoate, with the CAS number 78024-61-0, is an organic compound that belongs to the class of benzoate esters. It features a methyl ester functional group attached to a benzoic acid derivative, along with a propenyl substituent that contains a ketone functional group. This compound is characterized by its aromatic ring, which contributes to its stability and potential reactivity. It is typically a colorless to pale yellow liquid with a pleasant odor, making it of interest in the fragrance and flavor industries. The presence of the propenyl group suggests that it may participate in various chemical reactions, including Michael additions or Diels-Alder reactions, due to its unsaturation and electrophilic nature. Methyl 2-[(1E)-3-oxo-1-propen-1-yl]benzoate may also exhibit biological activity, which could be explored for potential applications in pharmaceuticals or agrochemicals. As with many organic compounds, proper handling and safety measures should be observed due to potential toxicity or reactivity.

Formula: C₁₁H₁₀O₃

InChI: InChI=1S/C11H10O3/c1-14-11(13)10-7-3-2-5-9(10)6-4-8-12/h2-8H,1H3/b6-4+

InChI key: InChIKey=NMMONMOXYJIGLW-GQCTYLIASA-N

SMILES: C(=C/C=O)\C1=C(C(OC)=O)C=CC=C1

Synonyms:

• Methyl (E)-o-(2-formylvinyl)benzoate
• Benzoic acid, 2-(3-oxo-1-propenyl)-, methyl ester, (E)-
• Methyl 2-[(1E)-3-oxo-1-propen-1-yl]benzoate
• Benzoic acid, 2-[(1E)-3-oxo-1-propen-1-yl]-, methyl ester