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CAS 733742-86-4

:

rel-(1R,3S)-3-Benzoylcyclohexanecarboxylic acid

Description:
Rel-(1R,3S)-3-Benzoylcyclohexanecarboxylic acid is a chiral compound characterized by its cyclohexane ring structure, which is substituted with both a benzoyl group and a carboxylic acid functional group. The specific stereochemistry indicated by the (1R,3S) configuration suggests that the compound has distinct spatial arrangements that can influence its chemical behavior and interactions. This compound is likely to exhibit properties typical of carboxylic acids, such as acidity and the ability to form hydrogen bonds, which can affect its solubility in various solvents. The presence of the benzoyl group may also impart additional reactivity, making it useful in organic synthesis or as an intermediate in the production of pharmaceuticals. Its unique stereochemistry can lead to different biological activities compared to its enantiomers, making it of interest in medicinal chemistry. Overall, rel-(1R,3S)-3-Benzoylcyclohexanecarboxylic acid is a compound of interest due to its structural features and potential applications in various chemical contexts.
Formula:C14H16O3
InChI:InChI=1/C14H16O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-3,5-6,11-12H,4,7-9H2,(H,16,17)/t11-,12+/s2
InChI key:InChIKey=LCOMXIQTOGETME-WEUYFXHZNA-N
SMILES:C(=O)([C@H]1C[C@@H](C(O)=O)CCC1)C2=CC=CC=C2
Synonyms:
  • Cyclohexanecarboxylic acid, 3-benzoyl-, (1R,3S)-rel-
  • cis-3-Benzoylcyclohexane-1-carboxylic acid
  • rel-(1R,3S)-3-Benzoylcyclohexanecarboxylic acid
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