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CAS 129277-08-3

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Ethyl (αR)-α-[(methylsulfonyl)oxy]benzenebutanoate

Description:
Ethyl (αR)-α-[(methylsulfonyl)oxy]benzenebutanoate, with the CAS number 129277-08-3, is a chemical compound characterized by its ester functional group, which is derived from the reaction of an alcohol and a carboxylic acid. This compound features a benzenebutanoate structure, indicating the presence of a benzene ring attached to a butanoate chain, along with a methylsulfonyl group that contributes to its unique properties. The presence of the methylsulfonyl moiety suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its ability to enhance solubility and bioavailability. The specific stereochemistry indicated by the (αR) designation implies that the compound has a defined spatial arrangement, which can significantly influence its biological activity and interactions with other molecules. Overall, this compound's characteristics, including its molecular structure and functional groups, make it a subject of interest in various fields, including organic synthesis and drug development.
Formula:C13H18O5S
InChI:InChI=1S/C13H18O5S/c1-3-17-13(14)12(18-19(2,15)16)10-9-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3/t12-/m1/s1
InChI key:InChIKey=QKQLJQXSPKYPFD-GFCCVEGCSA-N
SMILES:[C@@H](CCC1=CC=CC=C1)(C(OCC)=O)OS(C)(=O)=O
Synonyms:
  • Benzenebutanoic acid, α-[(methylsulfonyl)oxy]-, ethyl ester, (αR)-
  • Benzenebutanoic acid, α-[(methylsulfonyl)oxy]-, ethyl ester, (R)-
  • Ethyl (αR)-α-[(methylsulfonyl)oxy]benzenebutanoate
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