CAS 1354484-68-6

1-(1,1-Dimethylethyl) (2S,4S)-4-[2-bromo-4-(1,1-dimethylethyl)phenoxy]-1,2-pyrrolidinedicarboxylate

Description:

1-(1,1-Dimethylethyl) (2S,4S)-4-[2-bromo-4-(1,1-dimethylethyl)phenoxy]-1,2-pyrrolidinedicarboxylate, with CAS number 1354484-68-6, is a synthetic organic compound characterized by its complex structure, which includes a pyrrolidine ring and multiple functional groups. This compound features a chiral center, indicating that it can exist in different stereoisomeric forms, which may influence its biological activity and interactions. The presence of bromine and tert-butyl groups suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. Its molecular structure may confer specific properties such as lipophilicity, which can affect its solubility and permeability in biological systems. Additionally, the presence of carboxylate groups indicates potential reactivity and interactions with other chemical species. Overall, this compound's unique characteristics make it a subject of interest in various fields, including drug design and agrochemicals, where its efficacy and safety profiles would need to be thoroughly evaluated through experimental studies.

Formula: C₂₀H₂₈BrNO₅

InChI: InChI=1S/C20H28BrNO5/c1-19(2,3)12-7-8-16(14(21)9-12)26-13-10-15(17(23)24)22(11-13)18(25)27-20(4,5)6/h7-9,13,15H,10-11H2,1-6H3,(H,23,24)/t13-,15-/m0/s1

InChI key: InChIKey=BKVWCEHUQPVLRJ-ZFWWWQNUSA-N

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

Synonyms:

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