CAS 1354484-53-9

1-(1,1-Dimethylethyl) (2S,4S)-4-[2-nitro-4-(trifluoromethyl)phenoxy]-1,2-pyrrolidinedicarboxylate

Description:

1-(1,1-Dimethylethyl) (2S,4S)-4-[2-nitro-4-(trifluoromethyl)phenoxy]-1,2-pyrrolidinedicarboxylate is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring with two carboxylate groups and a phenoxy moiety substituted with a nitro and trifluoromethyl group. The presence of the 1,1-dimethylethyl group contributes to its steric bulk, potentially influencing its reactivity and interactions with biological targets. This compound is likely to exhibit specific solubility characteristics due to its polar and non-polar functional groups, which can affect its behavior in various solvents. The nitro and trifluoromethyl substituents may impart unique electronic properties, enhancing its potential as a bioactive molecule. Additionally, the stereochemistry indicated by the (2S,4S) configuration suggests that it may have specific chiral properties, which can be crucial for its biological activity. Overall, this compound's intricate structure and functional groups suggest potential applications in pharmaceuticals or agrochemicals, although further studies would be necessary to elucidate its specific properties and uses.

Formula: C₁₇H₁₉F₃N₂O₇

InChI: InChI=1S/C17H19F3N2O7/c1-16(2,3)29-15(25)21-8-10(7-12(21)14(23)24)28-13-5-4-9(17(18,19)20)6-11(13)22(26)27/h4-6,10,12H,7-8H2,1-3H3,(H,23,24)/t10-,12-/m0/s1

InChI key: InChIKey=MUEKRMPXOVXPFC-JQWIXIFHSA-N

SMILES: C(OC(C)(C)C)(=O)N1[C@H](C(O)=O)C[C@H](OC2=C(N(=O)=O)C=C(C(F)(F)F)C=C2)C1

Synonyms:

• 1-(1,1-Dimethylethyl) (2S,4S)-4-[2-nitro-4-(trifluoromethyl)phenoxy]-1,2-pyrrolidinedicarboxylate
• 1,2-Pyrrolidinedicarboxylic acid, 4-[2-nitro-4-(trifluoromethyl)phenoxy]-, 1-(1,1-dimethylethyl) ester, (2S,4S)-