CAS 1131587-75-1
:Ethyl 5-bromo-2-(3-buten-1-yl)benzoate
Description:
Ethyl 5-bromo-2-(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 a bromine atom at the 5-position of the aromatic ring enhances its reactivity, making it useful in various synthetic applications. The compound features a 3-buten-1-yl side chain, which introduces an alkene functionality, contributing to its potential for further chemical transformations. Ethyl 5-bromo-2-(3-buten-1-yl)benzoate is typically a colorless to pale yellow liquid, exhibiting moderate solubility in organic solvents. Its molecular structure suggests it may participate in electrophilic aromatic substitution reactions and can serve as a precursor for more complex molecules in organic synthesis. Additionally, the compound's unique combination of functional groups may impart specific biological activities, making it of interest in medicinal chemistry. Safety data should be consulted for handling and storage, as halogenated compounds can pose health and environmental risks.
Formula:C13H15BrO2
InChI:InChI=1S/C13H15BrO2/c1-3-5-6-10-7-8-11(14)9-12(10)13(15)16-4-2/h3,7-9H,1,4-6H2,2H3
InChI key:InChIKey=KTHQHNDCUFKMOZ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(CCC=C)C=CC(Br)=C1
Synonyms:- Ethyl 5-bromo-2-(3-buten-1-yl)benzoate
- Benzoic acid, 5-bromo-2-(3-buten-1-yl)-, ethyl ester
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