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CAS 81454-02-6

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4-oxo-4-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]butanoate

Description:
4-Oxo-4-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]butanoate, with the CAS number 81454-02-6, is a chemical compound characterized by its unique structure that includes a butanoate moiety and a pyrrole ring substituted with a phenylsulfonyl group. This compound typically exhibits properties associated with both the butanoate and pyrrole functional groups, such as potential acidity due to the carboxylate portion and reactivity due to the carbonyl and sulfonyl functionalities. It may display moderate solubility in polar solvents, influenced by the presence of the sulfonyl group, which can enhance its interaction with solvent molecules. The compound's structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the biological activity often associated with pyrrole derivatives. Additionally, its synthesis and reactivity can be of interest in organic synthesis, particularly in the formation of more complex molecules. As with many organic compounds, handling should be done with care, considering safety data and potential hazards associated with its use.
Formula:C14H12NO5S
InChI:InChI=1/C14H13NO5S/c16-13(6-7-14(17)18)11-8-9-15(10-11)21(19,20)12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,17,18)/p-1
SMILES:c1ccc(cc1)S(=O)(=O)n1ccc(c1)C(=O)CCC(=O)[O-]
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