CAS 1263282-67-2
:Methyl 3-(4-chloro-3-oxobutyl)benzoate
Description:
Methyl 3-(4-chloro-3-oxobutyl)benzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid and a substituted butyl chain. The presence of a chloro group and a ketone functionality in the butyl chain contributes to its reactivity and potential applications in organic synthesis. This compound typically exhibits moderate polarity due to the ester and ketone groups, influencing its solubility in various organic solvents. Its molecular structure suggests potential biological activity, making it of interest in pharmaceutical research. The compound may also participate in various chemical reactions, such as nucleophilic substitutions or condensation reactions, due to the electrophilic nature of the carbonyl carbon. Safety data should be consulted for handling and storage, as halogenated compounds can pose environmental and health risks. Overall, Methyl 3-(4-chloro-3-oxobutyl)benzoate represents a versatile building block in organic chemistry with potential applications in medicinal chemistry and material science.
Formula:C12H13ClO3
InChI:InChI=1S/C12H13ClO3/c1-16-12(15)10-4-2-3-9(7-10)5-6-11(14)8-13/h2-4,7H,5-6,8H2,1H3
InChI key:InChIKey=HDSBCHDFLYUMFP-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(CCC(CCl)=O)=CC=C1
Synonyms:- Benzoic acid, 3-(4-chloro-3-oxobutyl)-, methyl ester
- Methyl 3-(4-chloro-3-oxobutyl)benzoate
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