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CAS 63131-31-7

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Ethyl 4-(methylthio)-β-oxobenzenepropanoate

Description:
Ethyl 4-(methylthio)-β-oxobenzenepropanoate, identified by its CAS number 63131-31-7, is an organic compound that belongs to the class of esters. It features a propanoate group attached to a benzene ring that is substituted with a methylthio group and a β-oxoketone functionality. This compound typically exhibits a moderate to low solubility in water, while being more soluble in organic solvents such as ethanol and acetone. Its molecular structure suggests potential reactivity due to the presence of the carbonyl groups, which can participate in various chemical reactions, including nucleophilic additions. Ethyl 4-(methylthio)-β-oxobenzenepropanoate may be utilized in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, owing to its unique functional groups. Additionally, it may exhibit biological activity, although specific biological properties would require further investigation. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken.
Formula:C12H14O3S
InChI:InChI=1S/C12H14O3S/c1-3-15-12(14)8-11(13)9-4-6-10(16-2)7-5-9/h4-7H,3,8H2,1-2H3
InChI key:InChIKey=QOZARDBBEJXHBJ-UHFFFAOYSA-N
SMILES:C(CC(OCC)=O)(=O)C1=CC=C(SC)C=C1
Synonyms:
  • Ethyl 4-(methylthio)-β-oxobenzenepropanoate
  • Benzenepropanoic acid, 4-(methylthio)-β-oxo-, ethyl ester
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