CAS 1241684-09-2

(βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3,5-difluorobenzenepropanoic acid

Description:

The chemical substance known as (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3,5-difluorobenzenepropanoic acid, with the CAS number 1241684-09-2, is characterized by its complex structure, which includes a chiral center, making it an enantiomerically active compound. This substance features a propanoic acid backbone, which is substituted with a difluorobenzene moiety at the β position, contributing to its unique chemical properties. The presence of the 1,1-dimethylethoxycarbonyl group indicates that it has protective groups that can influence its reactivity and solubility. The difluorobenzene component suggests potential applications in pharmaceuticals or agrochemicals, as fluorinated compounds often exhibit enhanced biological activity and metabolic stability. Additionally, the compound's stereochemistry may play a crucial role in its interaction with biological targets, affecting its efficacy and safety profile. Overall, this compound's characteristics make it a subject of interest in synthetic organic chemistry and medicinal chemistry research.

Formula: C₁₄H₁₇F₂NO₄

InChI: InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(7-12(18)19)8-4-9(15)6-10(16)5-8/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1

InChI key: InChIKey=RYCRCZJICXQXBP-NSHDSACASA-N

SMILES: [C@H](NC(OC(C)(C)C)=O)(CC(O)=O)C1=CC(F)=CC(F)=C1

Synonyms:

• (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3,5-difluorobenzenepropanoic acid
• (3S)-3-[[(tert-Butoxy)carbonyl]amino]-3-(3,5-difluorophenyl)propanoic acid
• Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-3,5-difluoro-, (βS)-