Description

N-(tert-Butoxycarbonyl)-N-(2-oxo-2-phenylethyl)-D-alanine (CAS No. 1345594-38-8) is a high-purity, synthetic chiral compound with the molecular formula C₁₆H₂₁NO₅. This derivative of D-alanine features a tert-butoxycarbonyl (Boc) protecting group and a phenacyl moiety, making it a valuable intermediate in peptide synthesis and medicinal chemistry applications. The compound’s IUPAC name is (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-phenacylamino]propanoic acid, and it is characterized by its crystalline solid form, high solubility in organic solvents, and stability under standard laboratory conditions. Ideal for researchers in pharmaceutical development, asymmetric synthesis, and proteomics, this product is rigorously tested via HPLC, NMR, and mass spectrometry to ensure ≥95% purity and batch-to-batch consistency. Store at 2-8°C in a tightly sealed container to maintain integrity.

Properties

• CAS Number: 1345594-38-8
• Complexity: 421
• IUPAC Name: (2R)-2-[tert-butoxycarbonyl(phenacyl)amino]propanoic acid
• InChI: InChI=1S/C16H21NO5/c1-11(14(19)20)17(15(21)22-16(2,3)4)10-13(18)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,19,20)/t11-/m1/s1
• InChI Key: PFODRZDVRIMXAB-LLVKDONJSA-N
• Exact Mass: 307.14197277
• Molecular Formula: C16H21NO5
• Molecular Weight: 307.34
• SMILES: C[C@H](C(=O)O)N(CC(=O)C1=CC=CC=C1)C(=O)OC(C)(C)C
• Topological: 83.9
• Monoisotopic Mass: 307.14197277
• Synonyms: N-(tert-Butoxycarbonyl)-N-(2-oxo-2-phenylethyl)-D-alanine, 1345594-38-8

Application

This compound serves as a key building block in the synthesis of chiral peptides and modified amino acids, particularly in the development of protease inhibitors and receptor-targeted therapeutics. Its Boc-protected amine and reactive phenacyl group enable selective deprotection and conjugation, facilitating advanced solid-phase peptide synthesis (SPPS). Researchers also utilize it in studying enzyme-substrate interactions and as a precursor for fluorescent labeling in bioimaging.

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