CAS 1131594-50-7
:Ethyl 3-bromo-4-pentylbenzoate
Description:
Ethyl 3-bromo-4-pentylbenzoate 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 3-position and a pentyl group at the 4-position of the aromatic ring contributes to its unique chemical properties. This compound typically appears as a colorless to pale yellow liquid and is likely to be soluble in organic solvents while exhibiting limited solubility in water due to its hydrophobic alkyl chain. Ethyl 3-bromo-4-pentylbenzoate may participate in various chemical reactions, including nucleophilic substitutions and coupling reactions, making it useful in synthetic organic chemistry. Its bromine substituent can serve as a leaving group, facilitating further functionalization. Additionally, the compound's structure suggests potential applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. Safety data should be consulted for handling and storage, as halogenated compounds can pose health and environmental risks.
Formula:C14H19BrO2
InChI:InChI=1S/C14H19BrO2/c1-3-5-6-7-11-8-9-12(10-13(11)15)14(16)17-4-2/h8-10H,3-7H2,1-2H3
InChI key:InChIKey=MGUHBPMSMUXZOC-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(Br)=C(CCCCC)C=C1
Synonyms:- Ethyl 3-bromo-4-pentylbenzoate
- Benzoic acid, 3-bromo-4-pentyl-, ethyl ester
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