CAS 1283107-67-4

3-(1,1-Dimethylethyl) (1R,2S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-2,3-dicarboxylate

Description:

3-(1,1-Dimethylethyl) (1R,2S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-2,3-dicarboxylate is a complex organic compound characterized by its bicyclic structure, which includes a nitrogen atom in the ring system. The presence of a trifluoromethyl group contributes to its unique electronic properties, potentially enhancing its reactivity and lipophilicity. The compound features two carboxylate functional groups, which can influence its solubility and interaction with biological systems. The specific stereochemistry indicated by the (1R,2S,5R) configuration suggests that the compound may exhibit chiral properties, affecting its biological activity and pharmacokinetics. Additionally, the presence of the bulky tert-butyl group (1,1-dimethylethyl) may impact steric hindrance, influencing how the molecule interacts with other substances. Overall, this compound's structural features suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, where its unique characteristics could be leveraged for specific therapeutic effects.

Formula: C₁₂H₁₆F₃NO₄

InChI: InChI=1S/C12H16F3NO4/c1-10(2,3)20-9(19)16-5-11(12(13,14)15)4-6(11)7(16)8(17)18/h6-7H,4-5H2,1-3H3,(H,17,18)/t6-,7-,11-/m0/s1

InChI key: InChIKey=XTVMFNVLSMXZFO-HFJPGXAFSA-N

SMILES: C(F)(F)(F)[C@@]12[C@@](C1)([C@@H](C(O)=O)N(C(OC(C)(C)C)=O)C2)[H]

Synonyms:

• 3-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid, 5-(trifluoromethyl)-, 3-(1,1-dimethylethyl) ester, (1R,2S,5R)-
• 3-(1,1-Dimethylethyl) (1R,2S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-2,3-dicarboxylate