CAS 844856-66-2

rel-(1R,2S)-2-(3,4-Dichlorobenzoyl)cyclohexanecarboxylic acid

Description:

Rel-(1R,2S)-2-(3,4-Dichlorobenzoyl)cyclohexanecarboxylic acid is a chemical compound characterized by its specific stereochemistry and functional groups. It features a cyclohexane ring substituted with a carboxylic acid group and a 3,4-dichlorobenzoyl moiety, which contributes to its unique properties. The presence of the dichlorobenzoyl group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The compound's stereochemistry, indicated by the (1R,2S) configuration, suggests that it has specific spatial arrangements that can affect its interaction with biological targets. This compound may exhibit various physical properties, such as solubility and melting point, influenced by its molecular structure and the presence of chlorine substituents. Additionally, its potential applications could include roles in drug development or as a chemical intermediate in organic synthesis. Overall, the characteristics of this compound make it a subject of interest in both synthetic and medicinal chemistry.

Formula: C₁₄H₁₄Cl₂O₃

InChI: InChI=1/C14H14Cl2O3/c15-11-6-5-8(7-12(11)16)13(17)9-3-1-2-4-10(9)14(18)19/h5-7,9-10H,1-4H2,(H,18,19)/t9-,10+/s2

InChI key: InChIKey=KGVSNENHIDVPNE-NLJMKPLXNA-N

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

Synonyms:

• Cyclohexanecarboxylic acid, 2-(3,4-dichlorobenzoyl)-, (1R,2S)-rel-
• rel-(1R,2S)-2-(3,4-Dichlorobenzoyl)cyclohexanecarboxylic acid
• CIS-2-(3,4-DICHLOROBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID