CAS 1119452-36-6

Ethyl 4-[(2-bromo-1-oxobutyl)amino]benzoate

Description:

Ethyl 4-[(2-bromo-1-oxobutyl)amino]benzoate is a chemical compound characterized by its structure, which includes an ethyl ester group and a bromo-substituted amino group attached to a benzoate moiety. This compound typically exhibits properties associated with both aromatic and aliphatic systems, including potential solubility in organic solvents and moderate reactivity due to the presence of the bromo group, which can participate in nucleophilic substitution reactions. The presence of the amino group suggests potential for hydrogen bonding, influencing its solubility and reactivity in various chemical environments. Ethyl 4-[(2-bromo-1-oxobutyl)amino]benzoate may also exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its molecular interactions and stability can be influenced by factors such as pH and temperature, which are critical for applications in synthesis and formulation. As with many organic compounds, safety precautions should be observed when handling this substance due to potential toxicity associated with brominated compounds.

Formula: C₁₃H₁₆BrNO₃

InChI: InChI=1S/C13H16BrNO3/c1-3-11(14)12(16)15-10-7-5-9(6-8-10)13(17)18-4-2/h5-8,11H,3-4H2,1-2H3,(H,15,16)

InChI key: InChIKey=GKGURBYHLYSDLC-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC=C(NC(C(CC)Br)=O)C=C1

Synonyms:

• Ethyl 4-[(2-bromo-1-oxobutyl)amino]benzoate
• Benzoic acid, 4-[(2-bromo-1-oxobutyl)amino]-, ethyl ester
• Ethyl 4-(2-bromobutanamido)benzoate