CAS 1228549-08-3

(αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-(trifluoromethyl)benzeneacetic acid

Description:

The chemical substance known as (αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-(trifluoromethyl)benzeneacetic acid, with the CAS number 1228549-08-3, is characterized by its complex structure that includes a trifluoromethyl group and a dimethylethoxycarbonyl moiety. This compound is likely to exhibit properties typical of amino acids, such as the ability to form hydrogen bonds due to the presence of both an amino group and a carboxylic acid functional group. The trifluoromethyl group can impart unique electronic properties, potentially enhancing lipophilicity and influencing the compound's reactivity and interaction with biological targets. The presence of the dimethylethoxycarbonyl group suggests that it may be used as a protecting group in synthetic chemistry, particularly in peptide synthesis. Overall, this compound's characteristics make it of interest in medicinal chemistry and drug development, where modifications to amino acid structures can lead to novel therapeutic agents.

Formula: C₁₄H₁₆F₃NO₄

InChI: InChI=1S/C14H16F3NO4/c1-13(2,3)22-12(21)18-10(11(19)20)8-4-6-9(7-5-8)14(15,16)17/h4-7,10H,1-3H3,(H,18,21)(H,19,20)/t10-/m0/s1

InChI key: InChIKey=RAIYJIQGEQQZLD-JTQLQIEISA-N

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

Synonyms:

• Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(trifluoromethyl)-, (αS)-
• (αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-(trifluoromethyl)benzeneacetic acid