Atomfair L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, 2-oxo-2-phenylethyl ester C16H21NO5 CAS 51814-46-1

Description

The L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, 2-oxo-2-phenylethyl ester (CAS: 51814-46-1) is a highly specialized chemical compound with the molecular formula C₁₆H₂₁NO₅. This derivative of L-alanine features a tert-butoxycarbonyl (Boc) protecting group and a phenacyl ester moiety, making it an invaluable intermediate in peptide synthesis and pharmaceutical research. Its high purity and stability ensure reliable performance in complex organic reactions, particularly in the synthesis of protected amino acids and bioactive peptides. Suitable for researchers and scientists in medicinal chemistry, this compound is supplied with comprehensive analytical data, including HPLC, NMR, and MS spectra, to guarantee quality and reproducibility.

Properties

• CAS Number: 51814-46-1
• Complexity: 407
• IUPAC Name: phenacyl (2S)-2-(tert-butoxycarbonylamino)propanoate
• InChI: InChI=1S/C16H21NO5/c1-11(17-15(20)22-16(2,3)4)14(19)21-10-13(18)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,17,20)/t11-/m0/s1
• InChI Key: BVKQROOXNDXZMB-NSHDSACASA-N
• Exact Mass: 307.14197277
• Molecular Formula: C16H21NO5
• Molecular Weight: 307.34
• SMILES: C[C@@H](C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)OC(C)(C)C
• Topological: 81.7
• Monoisotopic Mass: 307.14197277
• Synonyms: 51814-46-1, L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, 2-oxo-2-phenylethyl ester, 2-Oxo-2-phenylethyl (tert-butoxycarbonyl)-L-alaninate, (S)-2-oxo-2-phenylethyl 2-((tert-butoxycarbonyl)amino)propanoate, phenacyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, SCHEMBL18480646, CS-M3282, AKOS037650548, CS-14958, C12920, (S)-2-oxo-2-phenylethyl2-((tert-butoxycarbonyl)amino)propanoate

This compound is primarily used as a protected amino acid derivative in solid-phase peptide synthesis (SPPS) and solution-phase peptide coupling reactions. It serves as a key intermediate for the introduction of L-alanine residues in peptide chains while maintaining orthogonal protection strategies. Researchers also utilize it in the development of protease inhibitors and other bioactive molecules targeting neurological and metabolic pathways. Its stability under acidic and basic conditions makes it suitable for multi-step synthetic routes.

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