Description

(S)-(4-Pentenyl)alanine tert-Butyl ester p-Nitrobenzoate (CAS: 1323987-70-7) is a high-purity, synthetic organic compound designed for advanced research and pharmaceutical applications. With the molecular formula C₁₉H₂₈N₂O₆, this specialized reagent features a chiral (S)-configuration, a reactive 4-pentenyl side chain, and a tert-butyl ester protected carboxyl group, making it ideal for peptide synthesis and medicinal chemistry studies. The p-nitrobenzoate moiety enhances its utility as a protecting group or synthetic intermediate. This product is rigorously tested for purity (typically >95% by HPLC) and stability, ensuring reliable performance in sensitive reactions. Suitable for use in academic, industrial, and biotech laboratories, it is supplied in sealed, light-resistant packaging to maintain integrity.

Properties

• CAS Number: 1323987-70-7
• Complexity: 396
• IUPAC Name: tert-butyl (2S)-2-(pent-4-enylamino)propanoate;4-nitrobenzoic acid
• InChI: InChI=1S/C12H23NO2.C7H5NO4/c1-6-7-8-9-13-10(2)11(14)15-12(3,4)5;9-7(10)5-1-3-6(4-2-5)8(11)12/h6,10,13H,1,7-9H2,2-5H3;1-4H,(H,9,10)/t10-;/m0./s1
• InChI Key: LIBKEDYMVICVSS-PPHPATTJSA-N
• Exact Mass: 380.19473662
• Molecular Formula: C19H28N2O6
• Molecular Weight: 380.4
• SMILES: C[C@@H](C(=O)OC(C)(C)C)NCCCC=C.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
• Topological: 121
• Monoisotopic Mass: 380.19473662
• Synonyms: 1323987-70-7, (S)-(4-Pentenyl)alanine tert-Butyl ester p-Nitrobenzoate, DB-247685

This compound is primarily used as a chiral building block in asymmetric synthesis and peptide modifications. Researchers employ it in the development of novel bioactive molecules, particularly in drug discovery for targeting enzymatic pathways. Its tert-butyl ester and p-nitrobenzoate groups facilitate controlled deprotection strategies, enabling precise structural modifications. Applications extend to proteomics and materials science where tailored amino acid derivatives are required.

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