CAS 1007881-99-3

1,1-Dimethylethyl (2S)-2-[[[2-(4-bromophenyl)-2-oxoethyl]amino]carbonyl]-4,4-difluoro-1-pyrrolidinecarboxylate

Description:

1,1-Dimethylethyl (2S)-2-[[[2-(4-bromophenyl)-2-oxoethyl]amino]carbonyl]-4,4-difluoro-1-pyrrolidinecarboxylate, identified by CAS number 1007881-99-3, is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring and multiple functional groups. This compound features a difluoromethyl group, which contributes to its unique reactivity and potential biological activity. The presence of a bromophenyl moiety suggests possible interactions with biological targets, making it of interest in medicinal chemistry. The compound's stereochemistry, indicated by the (2S) designation, implies specific spatial arrangements that can influence its pharmacological properties. Additionally, the presence of carbonyl and amino groups indicates potential for hydrogen bonding and reactivity in various chemical environments. Overall, this compound may exhibit significant properties relevant to drug development, particularly in the context of targeting specific biological pathways or mechanisms. Its synthesis and characterization would require careful consideration of its functional groups and stereochemistry to ensure the desired properties are achieved.

Formula: C₁₈H₂₁BrF₂N₂O₄

InChI: InChI=1S/C18H21BrF2N2O4/c1-17(2,3)27-16(26)23-10-18(20,21)8-13(23)15(25)22-9-14(24)11-4-6-12(19)7-5-11/h4-7,13H,8-10H2,1-3H3,(H,22,25)/t13-/m0/s1

InChI key: InChIKey=OYHFBYXGNGFKLE-ZDUSSCGKSA-N

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

Synonyms:

• (S)-tert-Butyl 2-((2-(4-bromophenyl)-2-oxoethyl)carbamoyl)-4,4-difluoropyrrolidine-1-carboxylate
• 1-Pyrrolidinecarboxylic acid, 2-[[[2-(4-bromophenyl)-2-oxoethyl]amino]carbonyl]-4,4-difluoro-, 1,1-dimethylethyl ester, (2S)-
• 1,1-Dimethylethyl (2S)-2-[[[2-(4-bromophenyl)-2-oxoethyl]amino]carbonyl]-4,4-difluoro-1-pyrrolidinecarboxylate