Description

(S)-Ethyl 3-amino-3-phenylpropanoate hydrochloride (CAS No. 167834-24-4) is a high-purity chiral compound with the molecular formula C₁₁H₁₆ClNO₂. This hydrochloride salt is an essential intermediate in pharmaceutical synthesis and asymmetric catalysis, particularly for the preparation of enantiomerically pure β-amino acids and their derivatives. The compound features a phenylpropanoate backbone with an (S)-configured amino group, making it a valuable building block for medicinal chemistry and peptide research. Supplied as a white to off-white crystalline powder, it is rigorously tested for identity, purity, and enantiomeric excess (typically ≥98% by HPLC). Suitable for use in GMP-compliant applications, this product is packaged under inert conditions to ensure stability and shipped with comprehensive analytical documentation (including ¹H NMR, HPLC, and MS spectra).

Key Specifications:
– Molecular Weight: 229.70 g/mol
– Melting Point: 185-189°C (dec.)
– Storage: 2-8°C in a tightly sealed container
– Hazard Codes: Xi (Irritant)
– Regulatory Status: REACH registered, available for research and commercial use

Properties

• CAS Number: 167834-24-4
• Complexity: 176
• IUPAC Name: ethyl (3S)-3-amino-3-phenyl-propanoate;hydrochloride
• InChI: InChI=1S/C11H15NO2.ClH/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-;/m0./s1
• InChI Key: ATSZQDTVNRNXKB-PPHPATTJSA-N
• Exact Mass: 229.0869564
• Molecular Formula: C11H16ClNO2
• Molecular Weight: 229.70
• SMILES: CCOC(=O)C[C@@H](C1=CC=CC=C1)N.Cl
• Topological: 52.3
• Monoisotopic Mass: 229.0869564
• Synonyms: 167834-24-4, (S)-Ethyl 3-amino-3-phenylpropanoate hydrochloride, (S)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride, ethyl (3S)-3-amino-3-phenylpropanoate hydrochloride, ethyl (3S)-3-amino-3-phenylpropanoate;hydrochloride, Benzenepropanoic acid, beta-amino-, ethyl ester, hydrochloride (1:1), (betaS)-, MFCD02259715, (3S)-3-amino-3-phenylpropanoic acid ethyl ester HCl, SCHEMBL350881, DTXSID00628465, ATSZQDTVNRNXKB-PPHPATTJSA-N, BCP13906, AKOS016843420, AC-5695, DS-16367, Ethyl (S)-beta-aminobenzenepropanoate HCl, CS-0151877, ST50405554, EN300-106466, N12630, ethyl (3S)-3-amino-3-phenylpropanoate, chloride, Ethyl beta(S)-aminobenzenepropanoate Hydrochloride, ethyl (S)-3-amino-3-phenyl-propionate hydrochloride, ethyl (S)-3-amino-3-phenylpropionate hydrochloride, Z1416200903, Ethyl (3S)-3-amino-3-phenylpropanoate–hydrogen chloride (1/1), (S)-3-amino-3-phenylpropanoic acid ethyl ester hydrochloride, AldrichCPR, Benzenepropanoic acid, |A-amino-, ethyl ester, hydrochloride (1:1), (|AS)-

This chiral β-amino ester derivative is widely employed as a key intermediate in the synthesis of pharmaceutical compounds, particularly β-lactam antibiotics and neurologically active agents. Its stereospecific structure makes it valuable for asymmetric synthesis and chiral auxiliary applications in medicinal chemistry. Researchers utilize it for developing peptide mimetics and investigating structure-activity relationships in drug discovery programs.

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