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Atomfair Benzyl N-(tert-butoxycarbonyl)-3-iodo-D-alaninate Boc-β-iodo-D-Ala-OBzl C15H20INO4 CAS 125942-79-2

Benzyl N-(tert-butoxycarbonyl)-3-iodo-D-alaninate (CAS No. 125942-79-2) is a high-purity, chiral organic compound widely used in peptide synthesis and pharmaceutical research. With the molecular formula C15H20INO4, this Boc-protected iodoalanine derivative serves as a critical intermediate for constructing modified peptides and bioactive molecules. The compound features a tert-butoxycarbonyl (Boc) protecting group for the amino functionality and a benzyl ester moiety, ensuring excellent stability during synthetic procedures. Its iodine substituent enables versatile cross-coupling reactions, making it invaluable for medicinal chemistry applications. Supplied as a white to off-white crystalline powder with ≥98% purity (TLC), this reagent is rigorously quality-controlled to meet the demands of advanced…

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Description

Benzyl N-(tert-butoxycarbonyl)-3-iodo-D-alaninate (CAS No. 125942-79-2) is a high-purity, chiral organic compound widely used in peptide synthesis and pharmaceutical research. With the molecular formula C15H20INO4, this Boc-protected iodoalanine derivative serves as a critical intermediate for constructing modified peptides and bioactive molecules. The compound features a tert-butoxycarbonyl (Boc) protecting group for the amino functionality and a benzyl ester moiety, ensuring excellent stability during synthetic procedures. Its iodine substituent enables versatile cross-coupling reactions, making it invaluable for medicinal chemistry applications. Supplied as a white to off-white crystalline powder with ≥98% purity (TLC), this reagent is rigorously quality-controlled to meet the demands of advanced research.

Properties

  • CAS Number: 125942-79-2
  • Complexity: 348
  • IUPAC Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-3-iodo-propanoate
  • InChI: InChI=1S/C15H20INO4/c1-15(2,3)21-14(19)17-12(9-16)13(18)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,19)/t12-/m1/s1
  • InChI Key: DDXFSYLOWHQCEK-GFCCVEGCSA-N
  • Exact Mass: 405.04371
  • Molecular Formula: C15H20INO4
  • Molecular Weight: 405.23
  • SMILES: CC(C)(C)OC(=O)N[C@H](CI)C(=O)OCC1=CC=CC=C1
  • Topological: 64.6
  • Monoisotopic Mass: 405.04371
  • Synonyms: 125942-79-2, DTXSID20546071, Benzyl N-(tert-butoxycarbonyl)-3-iodo-D-alaninate, DTXCID70496855, Boc-beta-iodo-D-Ala-OBzl, Boc-3-iodo-D-alanine benzyl ester, Boc-|A-iodo-D-Ala-OBzl, D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-iodo-, phenylmethyl ester, N-Boc-3-iodo-D-alanine benzyl ester, (S)-Benzyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate, benzyl (2S)-3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, Boc- beta -iodo-D-Ala-OBzl, SCHEMBL5356265, AKOS015889533, HY-W141850, DA-71620, CS-0201646, Boc-beta-iodo-D-Ala-OBzl, >=98.0% (TLC), F79629, (S)-Benzyl2-((tert-butoxycarbonyl)amino)-3-iodopropanoate

This compound is primarily employed as a building block in solid-phase peptide synthesis (SPPS) for introducing iodine-modified D-alanine residues. It facilitates the preparation of radiolabeled peptides for imaging studies and serves as a precursor for palladium-catalyzed cross-coupling reactions in drug discovery. Researchers utilize its chiral center to investigate structure-activity relationships in bioactive compounds, particularly in antimicrobial and anticancer agent development.

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Disclaimer

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This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

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