Description

(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-(((trifluoromethyl)sulfonyl)oxy)phenyl)propanoate (CAS No. 112766-18-4) is a high-purity, synthetic amino acid derivative designed for advanced research applications. With the molecular formula C₁₆H₂₀F₃NO₇S, this compound features a chiral (S)-configuration, a tert-butoxycarbonyl (Boc) protecting group, and a trifluoromethylsulfonyl (Tf) ester moiety, making it a versatile intermediate in peptide synthesis and medicinal chemistry. Its precise structure, methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate, ensures optimal reactivity in coupling reactions and selective deprotection strategies. Packaged under inert conditions to guarantee stability, this product is ideal for pharmaceutical development, asymmetric synthesis, and proteomics research. Available in quantities from milligrams to bulk scales, with certificates of analysis (CoA) and HPLC/GC-MS purity data upon request.

Properties

• CAS Number: 112766-18-4
• Complexity: 645
• IUPAC Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate
• InChI: InChI=1S/C16H20F3NO7S/c1-15(2,3)26-14(22)20-12(13(21)25-4)9-10-5-7-11(8-6-10)27-28(23,24)16(17,18)19/h5-8,12H,9H2,1-4H3,(H,20,22)/t12-/m0/s1
• InChI Key: JZWGAKDJDOFGPF-LBPRGKRZSA-N
• Exact Mass: 427.09125764
• Molecular Formula: C16H20F3NO7S
• Molecular Weight: 427.4
• SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)OC
• Topological: 116
• Monoisotopic Mass: 427.09125764
• Synonyms: 112766-18-4, Boc-L-Tyr(Tf)-OMe, (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-(((trifluoromethyl)sulfonyl)oxy)phenyl)propanoate, Methyl 2-(tert-butoxycarbonylaMino)-3-(4-(trifluoroMethylsulfonyloxy)phenyl)propanoate, methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate, (S)-4-[[(trifluoromethyl)sulfonyl]oxy)-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid methyl ester, (S)-4-[[(trifluoromethyl)sulfonyl]oxy]-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid methyl ester, SCHEMBL864694, MFCD09263335, BS-26420, DB-109016, W12501, N-Boc-O-(trifluoromethylsulphonyl)-L-tyrosine methyl ester, Methyl N-(tert-butoxycarbonyl)-O-[(trifluoromethyl)sulfonyl]-L-tyrosinate, N-(tert-butoxycarbonyl)-O-(trifluoromethanesulfonyl)-L-tyrosine methyl ester, (s)-methyl 2-(tert-butoxycarbonylamino)-3-(4-(trifluoromethylsulfonyloxy)-phenyl)propanoate, (s)-methyl 2-(tert-butoxycarbonylamino)-3-(4-(trifluoromethylsulfonyloxy)phenyl)propanoate, N-(tert-butoxycarbonyl)-O-(trifluoromethane-sulfonyl)-L-tyrosine methyl ester, (S)-2-t-butoxycarbonylamino-3-(4-trifluoromethanesulfonyloxyphenyl)-propionic acid methyl ester, (S)-2-tert-butoxycarbonylamino-3-(4-trifluoromethanesulfonyloxy-phenyl)-propionic acid methyl ester, (S)-2-tert-butoxycarbonylamino-3-(4-trifluoromethanesulfonyloxy-phenyl)propionic acid methyl ester, (S)-2-tert-butoxycarbonylamino-3-(4-trifluoromethanesulfonyloxyphenyl) propionic acid methyl ester, (S)-2-tert-Butoxycarbonylamino-3-(4-trifluoromethanesulfonyloxyphenyl)propionic acid methyl ester, (S)-Methyl2-((tert-butoxycarbonyl)amino)-3-(4-(((trifluoromethyl)sulfonyl)oxy)phenyl)propanoate, Methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-(4-{[trifluoromethylsulphonyl]oxy}phenyl)propanoate, methyl (S)-2-((tert-butoxycarbonyl)amino)-3-(4-(((trifluoromethyl)sulfonyl)oxy)phenyl)propanoate, N-alpha-t-Butyloxycarbonyl-O-trifluoromethylsulfonyl-L-tyrosine methyl ester (Boc-L-Tyr(Tf)-OMe)

Application

This compound serves as a key chiral building block in the synthesis of modified peptides and peptidomimetics, particularly for introducing tyrosine derivatives with sulfonyl ester functionalities. It is widely used in medicinal chemistry for the development of protease inhibitors and receptor-targeted therapeutics due to its triflate leaving group, enabling nucleophilic aromatic substitution. Researchers also employ it in solid-phase peptide synthesis (SPPS) to incorporate protected tyrosine analogs with orthogonal deprotection capabilities.

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