CAS 951625-05-1

Ethyl 1-[2-(methylsulfonyl)-4-nitrophenyl]-4-piperidinecarboxylate

Description:

Ethyl 1-[2-(methylsulfonyl)-4-nitrophenyl]-4-piperidinecarboxylate is a chemical compound characterized by its complex structure, which includes a piperidine ring, a nitrophenyl group, and a methylsulfonyl moiety. This compound typically exhibits properties such as moderate solubility in organic solvents and limited solubility in water, which is common for many piperidine derivatives. The presence of the nitro group suggests potential for reactivity, particularly in electrophilic substitution reactions. The methylsulfonyl group may enhance the compound's polarity and influence its biological activity, potentially making it a candidate for pharmaceutical applications. Additionally, the ethyl ester functional group can affect the compound's lipophilicity and bioavailability. Overall, this compound's unique structural features contribute to its potential utility in medicinal chemistry, particularly in the development of new therapeutic agents. However, specific safety and handling guidelines should be followed, as with all chemical substances, due to the potential for toxicity associated with certain functional groups.

Formula: C₁₅H₂₀N₂O₆S

InChI: InChI=1S/C15H20N2O6S/c1-3-23-15(18)11-6-8-16(9-7-11)13-5-4-12(17(19)20)10-14(13)24(2,21)22/h4-5,10-11H,3,6-9H2,1-2H3

InChI key: InChIKey=YYJQEZKEFSITKC-UHFFFAOYSA-N

SMILES: S(C)(=O)(=O)C1=C(C=CC(N(=O)=O)=C1)N2CCC(C(OCC)=O)CC2

Synonyms:

• Ethyl 1-[2-(methylsulfonyl)-4-nitrophenyl]-4-piperidinecarboxylate
• 4-Piperidinecarboxylic acid, 1-[2-(methylsulfonyl)-4-nitrophenyl]-, ethyl ester