CAS 125469-91-2

α-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]-α-(phenylmethyl)benzenepropanoic acid

Description:

α-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]-α-(phenylmethyl)benzenepropanoic acid, with CAS number 125469-91-2, is a chemical compound characterized by its complex structure, which includes an amino acid derivative with a dimethylethoxycarbonyl group. This compound features a phenylmethyl group and a propanoic acid moiety, contributing to its potential as a pharmaceutical intermediate or in synthetic organic chemistry. The presence of the dimethylethoxycarbonyl group suggests that it may exhibit protective group characteristics, making it useful in peptide synthesis. The compound is likely to be a solid at room temperature, with solubility varying based on the solvent used, typically showing better solubility in organic solvents due to its hydrophobic components. Its molecular structure indicates potential for various interactions, including hydrogen bonding and hydrophobic interactions, which may influence its reactivity and biological activity. As with many organic compounds, safety data should be consulted for handling and storage, as it may pose risks typical of amine and carboxylic acid derivatives.

Formula: C₂₂H₂₇NO₄

InChI: InChI=1S/C22H27NO4/c1-21(2,3)27-20(26)23-16-22(19(24)25,14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3,(H,23,26)(H,24,25)

InChI key: InChIKey=IYOLPVWVYKXRSP-UHFFFAOYSA-N

SMILES: C(CC1=CC=CC=C1)(CC2=CC=CC=C2)(CNC(OC(C)(C)C)=O)C(O)=O

Synonyms:

• Benzenepropanoic acid, α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-α-(phenylmethyl)-
• α-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]-α-(phenylmethyl)benzenepropanoic acid

3-Boc-Amino-2,2-dibenzyl-propionic acid

CAS: 125469-91-2

Formula: C₂₂H₂₇NO₄

Purity: 95.0%

Molecular weight: 369.461

Ref: 10-F330258