CAS 735274-97-2

rel-(1R,2S)-2-[2-(4-Iodophenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Description:

Rel-(1R,2S)-2-[2-(4-Iodophenyl)-2-oxoethyl]cyclohexanecarboxylic acid is a chemical compound characterized by its unique structural features, which include a cyclohexane ring and a carboxylic acid functional group. The presence of the 4-iodophenyl group introduces significant lipophilicity and potential for biological activity, making it of interest in medicinal chemistry. The compound's stereochemistry, indicated by the (1R,2S) configuration, suggests specific spatial arrangements that can influence its reactivity and interactions with biological targets. This compound may exhibit properties such as solubility in organic solvents, moderate stability under standard conditions, and potential reactivity with nucleophiles due to the electrophilic nature of the carbonyl group. Its applications could range from pharmaceutical development to research in organic synthesis. As with many compounds containing halogens, safety and handling precautions are essential due to the potential toxicity associated with iodine-containing substances. Overall, this compound represents a complex structure with promising implications in various chemical and biological contexts.

Formula: C₁₅H₁₇IO₃

InChI: InChI=1/C15H17IO3/c16-12-7-5-10(6-8-12)14(17)9-11-3-1-2-4-13(11)15(18)19/h5-8,11,13H,1-4,9H2,(H,18,19)/t11-,13+/s2

InChI key: InChIKey=PBRAGIZIEINLNK-VEZULTJBNA-N

SMILES: C(C(=O)C1=CC=C(I)C=C1)[C@H]2[C@H](C(O)=O)CCCC2

Synonyms:

• rel-(1R,2S)-2-[2-(4-Iodophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 2-[2-(4-iodophenyl)-2-oxoethyl]-, (1R,2S)-rel-