CAS 735275-03-3

(1R,2S)-2-[2-(4-nitrophenyl)-2-oxo-ethyl]cyclohexane-1-carboxylic acid

Description:

The chemical substance known as (1R,2S)-2-[2-(4-nitrophenyl)-2-oxo-ethyl]cyclohexane-1-carboxylic acid, with the CAS number 735275-03-3, is a chiral compound characterized by its cyclohexane backbone and functional groups that include a carboxylic acid and a nitrophenyl moiety. The presence of the nitrophenyl group suggests potential applications in pharmaceuticals or as a synthetic intermediate, given its ability to participate in various chemical reactions. The specific stereochemistry indicated by the (1R,2S) configuration implies that the compound exhibits optical activity, which can influence its biological activity and interactions with other molecules. The compound's structure suggests it may have moderate solubility in polar solvents, and its carboxylic acid group can engage in hydrogen bonding, affecting its reactivity and stability. Overall, this compound's unique structural features and functional groups make it of interest in organic synthesis and medicinal chemistry.

Formula: C₁₅H₁₇NO₅

InChI: InChI=1/C15H17NO5/c17-14(10-5-7-12(8-6-10)16(20)21)9-11-3-1-2-4-13(11)15(18)19/h5-8,11,13H,1-4,9H2,(H,18,19)/t11-,13+/m0/s1

InChI key: InChIKey=ZBGLYSOHRIXRFD-VEZULTJBNA-N

SMILES: C(O)(=O)[C@H]1[C@H](CC(=O)C2=CC=C(N(=O)=O)C=C2)CCCC1

Synonyms:

• Cyclohexanecarboxylic acid, 2-[2-(4-nitrophenyl)-2-oxoethyl]-, (1R,2S)-rel-
• rel-(1R,2S)-2-[2-(4-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• (1R,2S)-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1-carboxylic acid
• TRANS-2-[2-OXO-2-(4-NITROPHENYL)ETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID