Description

Boc-3,5-difluoro-D-phenylalanine (CAS No. 205445-53-0) is a high-purity, N-Boc protected derivative of D-phenylalanine featuring 3,5-difluorophenyl substitution. With the molecular formula C₁₄H₁₇F₂NO₄, this chiral building block is essential for peptide synthesis, medicinal chemistry, and pharmaceutical research. The tert-butoxycarbonyl (Boc) protecting group ensures stability during solid-phase peptide synthesis (SPPS) and other organic transformations. This compound is rigorously characterized by HPLC, NMR, and mass spectrometry to guarantee ≥95% purity, making it ideal for sensitive applications in drug discovery and biochemical studies. Packaged under inert gas to prevent degradation, it is supplied as a white to off-white crystalline powder with strict quality control for batch-to-batch consistency.

Properties

• CAS Number: 205445-53-0
• Complexity: 374
• IUPAC Name: (2R)-2-(tert-butoxycarbonylamino)-3-(3,5-difluorophenyl)propanoic acid
• InChI: InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)6-8-4-9(15)7-10(16)5-8/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1
• InChI Key: CZBNUDVCRKSYDG-LLVKDONJSA-N
• Exact Mass: 301.11256435
• Molecular Formula: C14H17F2NO4
• Molecular Weight: 301.29
• SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CC(=CC(=C1)F)F)C(=O)O
• Topological: 75.6
• Monoisotopic Mass: 301.11256435
• Synonyms: 205445-53-0, BOC-D-3,5-DIFLUOROPHENYLALANINE, Boc-3,5-difluoro-D-phenylalanine, (2R)-3-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro-, BOC-D-3,5-DIFLUOROPHE, (R)-2-((tert-butoxycarbonyl)amino)-3-(3,5-difluorophenyl)propanoic acid, MFCD00797555, SCHEMBL14250214, DTXSID70427321, (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(3,5-difluorophenyl)propanoic acid, CZBNUDVCRKSYDG-LLVKDONJSA-N, AKOS016842518, AC-9066, DS-16846, CS-0154580, A50127, 3,5-DIFLUORO-D-PHENYLALANINE, N-BOC PROTECTED, N-(tert-butoxycarbonyl)-3,5-difluoro-D-phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro-D-phenylalanine, 3,5-Difluoro-L-phenylalanine, N-BOC protected (Boc-L-Phe(3,5-diF)-OH), (R)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(3,5-DIFLUOROPHENYL)PROPANOIC ACID

Boc-3,5-difluoro-D-phenylalanine is widely used in the synthesis of fluorinated peptides and peptidomimetics, enhancing metabolic stability and binding affinity in drug candidates. It serves as a key intermediate for developing protease inhibitors and GPCR-targeted therapeutics due to its fluorine-mediated electronic effects. Researchers also employ it in PET tracer design and structural biology studies to probe protein-ligand interactions. Its compatibility with Fmoc/Boc SPPS protocols makes it valuable for combinatorial chemistry libraries.

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