CAS 735274-95-0

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

Description:

Rel-(1R,2S)-2-[2-(2-Iodophenyl)-2-oxoethyl]cyclohexanecarboxylic acid is a chemical compound characterized by its specific stereochemistry and functional groups. It features a cyclohexane ring with a carboxylic acid group, which contributes to its acidity and potential reactivity. The presence of the 2-iodophenyl group indicates that the compound may exhibit unique electronic properties due to the iodine atom, which can influence its reactivity and interactions with biological targets. The oxoethyl substituent suggests that the compound may participate in various chemical reactions, including nucleophilic attacks or condensation reactions. This compound may be of interest in medicinal chemistry due to its structural features, which could be relevant for drug design or synthesis. Additionally, the stereochemistry (1R,2S) implies that the compound may have specific spatial arrangements that can affect its biological activity and interactions with enzymes or receptors. Overall, this compound's unique structure and functional groups make it a candidate for further investigation in chemical and pharmaceutical research.

Formula: C₁₅H₁₇IO₃

InChI: InChI=1/C15H17IO3/c16-13-8-4-3-7-12(13)14(17)9-10-5-1-2-6-11(10)15(18)19/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,18,19)/t10-,11+/s2

InChI key: InChIKey=ZPGHWWKTVPATLX-WIBLRKLZNA-N

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

Synonyms:

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