CAS 731772-87-5

Ethyl 3-(3-bromo-3-buten-1-yl)benzoate

Description:

Ethyl 3-(3-bromo-3-buten-1-yl)benzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. The presence of the bromoalkene substituent introduces notable reactivity, particularly in nucleophilic substitution and addition reactions. This compound features a benzene ring, which contributes to its aromatic properties, and the ethyl ester moiety enhances its solubility in organic solvents. The molecular structure includes a butenyl chain with a bromine atom, which can serve as a site for further chemical transformations. Ethyl 3-(3-bromo-3-buten-1-yl)benzoate may exhibit biological activity, making it of interest in medicinal chemistry and synthetic applications. Its properties, such as boiling point, melting point, and solubility, can vary based on the specific conditions and purity of the sample. As with many brominated compounds, it is essential to handle this substance with care due to potential toxicity and environmental concerns associated with bromine-containing chemicals.

Formula: C₁₃H₁₅BrO₂

InChI: InChI=1S/C13H15BrO2/c1-3-16-13(15)12-6-4-5-11(9-12)8-7-10(2)14/h4-6,9H,2-3,7-8H2,1H3

InChI key: InChIKey=MBYUCSRIHQKAMP-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 3-(3-bromo-3-buten-1-yl)benzoate
• Benzoic acid, 3-(3-bromo-3-buten-1-yl)-, ethyl ester
• Benzoic acid, 3-(3-bromo-3-butenyl)-, ethyl ester