CAS 1076198-07-6

Ethyl 3-(4-mercaptophenyl)-2-propenoate

Description:

Ethyl 3-(4-mercaptophenyl)-2-propenoate, identified by its CAS number 1076198-07-6, is an organic compound characterized by its structure, which features an ethyl ester group and a propenoate moiety with a para-mercapto substituent on the phenyl ring. This compound typically exhibits properties associated with both esters and thiols, including potential reactivity in nucleophilic addition reactions due to the presence of the mercapto group. It may be a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. Ethyl 3-(4-mercaptophenyl)-2-propenoate is likely to be soluble in organic solvents, while its reactivity can make it useful in various chemical syntheses, particularly in the development of materials or pharmaceuticals. Additionally, the mercapto group may impart unique properties, such as increased reactivity towards electrophiles and potential applications in the synthesis of thiol-containing compounds. Safety data should be consulted for handling and storage, as compounds with thiol groups can be sensitive to oxidation and may have specific health hazards.

Formula: C₁₁H₁₂O₂S

InChI: InChI=1S/C11H12O2S/c1-2-13-11(12)8-5-9-3-6-10(14)7-4-9/h3-8,14H,2H2,1H3

InChI key: InChIKey=VOHJDLLHNAYVJW-UHFFFAOYSA-N

SMILES: C(=CC(OCC)=O)C1=CC=C(S)C=C1

Synonyms:

• 2-Propenoic acid, 3-(4-mercaptophenyl)-, ethyl ester
• Ethyl 3-(4-mercaptophenyl)-2-propenoate