CAS 869681-95-8

1-(1,1-Dimethylethyl) (2S,4S)-4-(2-methylphenoxy)-1,2-pyrrolidinedicarboxylate

Description:

1-(1,1-Dimethylethyl) (2S,4S)-4-(2-methylphenoxy)-1,2-pyrrolidinedicarboxylate is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring with two carboxylate groups and a phenoxy substituent. The presence of the tert-butyl group (1,1-dimethylethyl) contributes to its steric bulk, potentially influencing its reactivity and solubility. The specific stereochemistry indicated by (2S,4S) suggests that the compound has defined spatial arrangements, which can affect its biological activity and interactions with other molecules. This compound may exhibit properties typical of pyrrolidine derivatives, such as potential applications in pharmaceuticals or agrochemicals. Its molecular structure suggests it could participate in various chemical reactions, including esterification and nucleophilic substitutions. Additionally, the presence of the aromatic ring may enhance its lipophilicity, impacting its solubility in organic solvents. Overall, the characteristics of this compound make it a subject of interest in synthetic chemistry and potential applications in medicinal chemistry.

Formula: C₁₇H₂₃NO₅

InChI: InChI=1S/C17H23NO5/c1-11-7-5-6-8-14(11)22-12-9-13(15(19)20)18(10-12)16(21)23-17(2,3)4/h5-8,12-13H,9-10H2,1-4H3,(H,19,20)/t12-,13-/m0/s1

InChI key: InChIKey=NNYBPYGAJNJRLN-STQMWFEESA-N

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

Synonyms:

• 1,2-Pyrrolidinedicarboxylic acid, 4-(2-methylphenoxy)-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
• 1-(1,1-Dimethylethyl) (2S,4S)-4-(2-methylphenoxy)-1,2-pyrrolidinedicarboxylate