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CAS 21133-98-2

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Ethyl 4-chloro-β-hydroxy-β-methylbenzenepropanoate

Description:
Ethyl 4-chloro-β-hydroxy-β-methylbenzenepropanoate, with the CAS number 21133-98-2, 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 chloro substituent on the aromatic ring, contributing to its reactivity and potential applications in organic synthesis. The presence of a β-hydroxy group indicates that it has a hydroxyl (-OH) group attached to the carbon adjacent to the carbonyl carbon, which can influence its solubility and hydrogen bonding capabilities. The ethyl ester group enhances its volatility and may affect its biological activity. Typically, compounds like this may be used in pharmaceuticals, agrochemicals, or as intermediates in chemical synthesis. Its specific properties, such as melting point, boiling point, and solubility, would depend on the molecular structure and interactions with solvents. Safety data should be consulted for handling and storage, as halogenated compounds can exhibit varying degrees of toxicity and environmental impact.
Formula:C12H15ClO3
InChI:InChI=1S/C12H15ClO3/c1-3-16-11(14)8-12(2,15)9-4-6-10(13)7-5-9/h4-7,15H,3,8H2,1-2H3
InChI key:InChIKey=AKTWBLNPMXANJD-UHFFFAOYSA-N
SMILES:C(CC(OCC)=O)(C)(O)C1=CC=C(Cl)C=C1
Synonyms:
  • Benzenepropanoic acid, 4-chloro-β-hydroxy-β-methyl-, ethyl ester
  • Ethyl 3-(4-Chlorophenyl)-3-Hydroxybutanoate
  • Ethyl 4-chloro-β-hydroxy-β-methylbenzenepropanoate
  • Hydrocinnamic acid, p-chloro-β-hydroxy-β-methyl-, ethyl ester
  • Ethyl 3-(p-chlorophenyl)-3-hydroxybutyrate
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