Description

Ethyl (2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate (CAS No. 1263046-12-3) is a high-purity chiral ester compound with the molecular formula C₁₃H₂₃NO₄. This specialized chemical is designed for advanced research applications, particularly in organic synthesis and pharmaceutical development. The compound features a reactive pent-4-enoate backbone with a tert-butoxycarbonyl (Boc)-protected amino group, making it a valuable intermediate for peptide modifications and stereoselective reactions. With its well-defined (2R)-configuration, this product is ideal for studies requiring enantiomeric purity. Packaged under inert conditions to ensure stability, it is suitable for use in catalysis, medicinal chemistry, and asymmetric synthesis workflows. Each batch undergoes rigorous QC analysis (HPLC, NMR) to guarantee ≥95% purity.

Properties

• CAS Number: 1263046-12-3
• Complexity: 319
• IUPAC Name: ethyl (2R)-2-(tert-butoxycarbonylamino)-2-methyl-pent-4-enoate
• InChI: InChI=1S/C13H23NO4/c1-7-9-13(6,10(15)17-8-2)14-11(16)18-12(3,4)5/h7H,1,8-9H2,2-6H3,(H,14,16)/t13-/m1/s1
• InChI Key: LKNUZALGJAHALH-CYBMUJFWSA-N
• Exact Mass: 257.16270821
• Molecular Formula: C13H23NO4
• Molecular Weight: 257.33
• SMILES: CCOC(=O)[C@@](C)(CC=C)NC(=O)OC(C)(C)C
• Topological: 64.6
• Monoisotopic Mass: 257.16270821
• Synonyms: 1263046-12-3, 4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, ethyl ester, (2R)-, ethyl (2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate, AKOS030212269, 4-Pentenoicacid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-,ethylester,(2R)-

Application

This compound serves as a key chiral building block in the synthesis of complex organic molecules, particularly in pharmaceutical research where stereochemistry is critical. Its Boc-protected amino group allows for selective deprotection in multi-step syntheses. The pent-4-enoate moiety enables further functionalization via olefin metathesis or cross-coupling reactions. Researchers utilize this material in developing peptidomimetics and bioactive compounds with defined stereocenters.

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