CAS 1119450-22-4

Methyl 2-[(2-bromo-1-oxobutyl)amino]benzoate

Description:

Methyl 2-[(2-bromo-1-oxobutyl)amino]benzoate, identified by its CAS number 1119450-22-4, is an organic compound that features a benzoate ester structure. This substance contains a methyl ester group, which contributes to its solubility in organic solvents. The presence of a bromo substituent indicates that it may exhibit reactivity typical of halogenated compounds, potentially participating in nucleophilic substitution reactions. The amino group suggests that it may engage in hydrogen bonding, influencing its physical properties such as boiling and melting points. Additionally, the oxobutyl moiety introduces a carbonyl functionality, which can enhance its reactivity and may play a role in various chemical transformations. Overall, this compound may be of interest in medicinal chemistry and synthetic organic chemistry due to its potential biological activity and utility as an intermediate in the synthesis of more complex molecules. Safety and handling precautions should be observed, as with any halogenated organic compound, due to potential toxicity and environmental concerns.

Formula: C₁₂H₁₄BrNO₃

InChI: InChI=1S/C12H14BrNO3/c1-3-9(13)11(15)14-10-7-5-4-6-8(10)12(16)17-2/h4-7,9H,3H2,1-2H3,(H,14,15)

InChI key: InChIKey=FGAQUMDVDVWCRH-UHFFFAOYSA-N

SMILES: N(C(C(CC)Br)=O)C1=C(C(OC)=O)C=CC=C1

Synonyms:

• Benzoic acid, 2-[(2-bromo-1-oxobutyl)amino]-, methyl ester
• Methyl 2-[(2-bromo-1-oxobutyl)amino]benzoate