CAS 1313714-61-2

Methyl 4-(3-chlorophenyl)-2-butenoate

Description:

Methyl 4-(3-chlorophenyl)-2-butenoate is an organic compound characterized by its ester functional group, which is derived from the reaction of a carboxylic acid and an alcohol. This compound features a butenoate structure, indicating the presence of a double bond within the butene chain, contributing to its reactivity and potential applications in organic synthesis. The presence of a 3-chlorophenyl group introduces a chlorine atom, which can influence the compound's electronic properties and reactivity, making it of interest in various chemical reactions, including electrophilic substitutions. Methyl 4-(3-chlorophenyl)-2-butenoate is typically a colorless to pale yellow liquid with a distinctive odor, and it is soluble in organic solvents. Its molecular structure suggests potential applications in pharmaceuticals, agrochemicals, and as an intermediate in the synthesis of more complex organic molecules. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken due to potential toxicity or reactivity.

Formula: C₁₁H₁₁ClO₂

InChI: InChI=1S/C11H11ClO2/c1-14-11(13)7-3-5-9-4-2-6-10(12)8-9/h2-4,6-8H,5H2,1H3

InChI key: InChIKey=BMBTZJAQPZHVDO-UHFFFAOYSA-N

SMILES: C(C=CC(OC)=O)C1=CC(Cl)=CC=C1

Synonyms:

• Methyl 4-(3-chlorophenyl)-2-butenoate
• 2-Butenoic acid, 4-(3-chlorophenyl)-, methyl ester