CAS 959578-20-2

1-(1,1-Dimethylethyl) (2R)-2-[(2-nitrophenyl)methyl]-1,2-pyrrolidinedicarboxylate

Description:

1-(1,1-Dimethylethyl) (2R)-2-[(2-nitrophenyl)methyl]-1,2-pyrrolidinedicarboxylate, with the CAS number 959578-20-2, is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring substituted with both a nitrophenyl group and a tert-butyl group. This compound features two carboxylate functional groups, contributing to its potential reactivity and solubility in various solvents. The presence of the nitrophenyl moiety suggests possible applications in organic synthesis or as a precursor in pharmaceutical development, given the importance of nitro groups in medicinal chemistry. The chirality indicated by the (2R) configuration may influence its biological activity and interactions with other molecules. Additionally, the tert-butyl group enhances the steric bulk around the nitrogen atom, which could affect the compound's conformation and reactivity. Overall, this compound's unique structural features make it of interest in both synthetic and medicinal chemistry contexts.

Formula: C₁₇H₂₂N₂O₆

InChI: InChI=1S/C17H22N2O6/c1-16(2,3)25-15(22)18-10-6-9-17(18,14(20)21)11-12-7-4-5-8-13(12)19(23)24/h4-5,7-8H,6,9-11H2,1-3H3,(H,20,21)/t17-/m1/s1

InChI key: InChIKey=ZXZASBNTHVRNBK-QGZVFWFLSA-N

SMILES: C([C@]1(C(O)=O)N(C(OC(C)(C)C)=O)CCC1)C2=C(N(=O)=O)C=CC=C2

Synonyms:

• 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-nitrophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2R)-
• 1-(1,1-Dimethylethyl) (2R)-2-[(2-nitrophenyl)methyl]-1,2-pyrrolidinedicarboxylate