CAS 104774-81-4

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

Description:

Methyl 2-[(1-oxo-2-propen-1-yl)amino]benzoate, with the CAS number 104774-81-4, is an organic compound characterized by its ester functional group and an amine moiety. This compound features a methyl ester derived from benzoic acid, where the benzoate is substituted at the 2-position with a propenylamine group. The presence of the 1-oxo-2-propen-1-yl group indicates that it has an α,β-unsaturated carbonyl structure, which can participate in various chemical reactions, such as Michael additions or nucleophilic attacks. The compound is likely to exhibit moderate polarity due to the ester and amine functionalities, influencing its solubility in organic solvents and water. Additionally, it may possess biological activity, making it of interest in medicinal chemistry and drug development. Its stability, reactivity, and potential applications would depend on the specific conditions and environments in which it is used. Overall, this compound represents a versatile structure with potential utility in various chemical and pharmaceutical applications.

Formula: C₁₁H₁₁NO₃

InChI: InChI=1S/C11H11NO3/c1-3-10(13)12-9-7-5-4-6-8(9)11(14)15-2/h3-7H,1H2,2H3,(H,12,13)

InChI key: InChIKey=UWPOXRRFZCQGRX-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(NC(C=C)=O)C=CC=C1

Synonyms:

• Benzoic acid, 2-[(1-oxo-2-propen-1-yl)amino]-, methyl ester
• Benzoic acid, 2-[(1-oxo-2-propenyl)amino]-, methyl ester
• Methyl 2-[(1-oxo-2-propen-1-yl)amino]benzoate