Description

Ethyl (S)-2-aminopent-4-enoate 4-methylbenzenesulfonate (CAS No. 1231709-21-9) is a high-purity chiral compound with the molecular formula C₁₄H₂₁NO₅S. This specialized chemical is an enantiomerically enriched ester derivative, featuring an (S)-2-aminopent-4-enoate moiety paired with a 4-methylbenzenesulfonate counterion. It is supplied as a crystalline solid with rigorously verified identity and purity (typically ≥95% by HPLC), making it ideal for asymmetric synthesis, pharmaceutical research, and chiral catalyst development. The product is characterized by 1H NMR, 13C NMR, and mass spectrometry, with full analytical data available upon request. Store under inert atmosphere at 2-8°C to maintain stability.

Properties

• CAS Number: 1231709-21-9
• Complexity: 329
• IUPAC Name: ethyl (2S)-2-aminopent-4-enoate;4-methylbenzenesulfonic acid
• InChI: InChI=1S/C7H13NO2.C7H8O3S/c1-3-5-6(8)7(9)10-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h3,6H,1,4-5,8H2,2H3;2-5H,1H3,(H,8,9,10)/t6-;/m0./s1
• InChI Key: MEQLYDZSCPUCRY-RGMNGODLSA-N
• Exact Mass: 315.11404394
• Molecular Formula: C14H21NO5S
• Molecular Weight: 315.39
• SMILES: CCOC(=O)[C@H](CC=C)N.CC1=CC=C(C=C1)S(=O)(=O)O
• Topological: 115
• Monoisotopic Mass: 315.11404394
• Synonyms: 1231709-21-9, Ethyl (S)-2-aminopent-4-enoate 4-methylbenzenesulfonate, Ethyl (2S)-2-aminopent-4-enoate;4-methylbenzenesulfonic acid, 4-Pentenoic acid, 2-amino-, ethyl ester, (2S)-, 4-methylbenzenesulfonate (1:1), MFCD12031686, (S)-Allylglycine ethyl ester p-toluenesulfonate (>98%, >98%ee) (H-Gly(All)-OEt.TsOH)

Application

This compound serves as a key chiral building block in the synthesis of non-proteinogenic amino acids and peptidomimetics. It is particularly valuable in medicinal chemistry for developing protease inhibitors and bioactive small molecules. Researchers utilize it in asymmetric hydrogenation studies and as a precursor for transition metal-catalyzed transformations. The tosylate salt form enhances crystallinity and handling properties compared to the free base.

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