CAS 1260613-94-2

(βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3,5-difluorobenzenepropanoic acid

Description:

The chemical substance known as (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3,5-difluorobenzenepropanoic acid, with the CAS number 1260613-94-2, is a synthetic compound that features a complex structure characterized by the presence of a fluorinated aromatic ring and a fluorenylmethoxycarbonyl (Fmoc) protecting group. This compound is typically utilized in peptide synthesis and other organic synthesis applications due to its ability to protect amino groups during chemical reactions. The difluorobenzene moiety contributes to its unique electronic properties, potentially influencing its reactivity and interaction with biological targets. The presence of the carboxylic acid functional group indicates that it can participate in acid-base reactions and may exhibit solubility in polar solvents. Overall, this compound is significant in medicinal chemistry and biochemistry, particularly in the development of pharmaceuticals and biologically active molecules. Its specific stereochemistry, denoted by the βR configuration, may also play a crucial role in its biological activity and interaction with enzymes or receptors.

Formula: C₂₄H₁₉F₂NO₄

InChI: InChI=1S/C24H19F2NO4/c25-15-9-14(10-16(26)11-15)22(12-23(28)29)27-24(30)31-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-11,21-22H,12-13H2,(H,27,30)(H,28,29)/t22-/m1/s1

InChI key: InChIKey=KGSIRNIQTRPPIO-JOCHJYFZSA-N

SMILES: C(OC(N[C@H](CC(O)=O)C1=CC(F)=CC(F)=C1)=O)C2C=3C(C=4C2=CC=CC4)=CC=CC3

Synonyms:

• Benzenepropanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3,5-difluoro-, (βR)-
• (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3,5-difluorobenzenepropanoic acid