CAS 1131594-20-1
:Methyl 3-bromo-4-pentylbenzoate
Description:
Methyl 3-bromo-4-pentylbenzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid. It features a bromine atom at the 3-position and a pentyl chain at the 4-position of the benzene ring, contributing to its unique chemical properties. The presence of the bromine atom introduces a halogen, which can influence the compound's reactivity, making it potentially useful in various chemical reactions, such as nucleophilic substitutions. The pentyl group adds hydrophobic characteristics, affecting its solubility in different solvents. This compound may exhibit moderate to low solubility in water, while being more soluble in organic solvents. Its structure suggests potential applications in organic synthesis, pharmaceuticals, or as an intermediate in the production of other chemical compounds. Additionally, the presence of both the bromine and the ester functional group may impart specific biological activities, warranting further investigation in medicinal chemistry. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or environmental impact.
Formula:C13H17BrO2
InChI:InChI=1S/C13H17BrO2/c1-3-4-5-6-10-7-8-11(9-12(10)14)13(15)16-2/h7-9H,3-6H2,1-2H3
InChI key:InChIKey=TXGIQXAKTJIJKS-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(Br)=C(CCCCC)C=C1
Synonyms:- Methyl 3-bromo-4-pentylbenzoate
- Benzoic acid, 3-bromo-4-pentyl-, methyl ester
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