CAS 1251924-87-4

1,1-Dimethylethyl 6-hydroxy-6-(trifluoromethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

Description:

1,1-Dimethylethyl 6-hydroxy-6-(trifluoromethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate, with CAS number 1251924-87-4, is a chemical compound characterized by its bicyclic structure, which includes a nitrogen atom in the ring system, indicative of its classification as an azabicyclo compound. The presence of a trifluoromethyl group contributes to its unique electronic properties, potentially enhancing lipophilicity and influencing its reactivity. The hydroxyl group at the 6-position suggests that the compound may exhibit hydrogen bonding capabilities, which can affect its solubility and interaction with biological systems. The ester functional group, derived from the carboxylic acid, implies that the compound may participate in esterification reactions or hydrolysis. Overall, this compound's structural features suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, where modifications to the bicyclic framework could lead to compounds with desirable biological activities. Further studies would be necessary to elucidate its specific properties and potential uses.

Formula: C₁₂H₁₈F₃NO₃

InChI: InChI=1S/C12H18F3NO3/c1-10(2,3)19-9(17)16-6-7-4-8(16)11(18,5-7)12(13,14)15/h7-8,18H,4-6H2,1-3H3

InChI key: InChIKey=SSBPDQPKOFKDIW-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1(O)C2N(C(OC(C)(C)C)=O)CC(C1)C2

Synonyms:

• 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 6-hydroxy-6-(trifluoromethyl)-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 6-hydroxy-6-(trifluoromethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate