Description

D-Phenylalanine, alpha-methyl-4-(trifluoromethyl)-, ethyl ester, hydrochloride, hydrate (1:1:1) (CAS No. 1315449-99-0) is a high-purity chiral compound with the molecular formula C₁₃H₁₉ClF₃NO₃. This derivative of phenylalanine features a trifluoromethyl group at the para position of the phenyl ring, an alpha-methyl substitution, and an ethyl ester moiety, making it a valuable building block in medicinal chemistry and peptide research. The compound is provided as a hydrochloride hydrate salt, ensuring enhanced stability and solubility for experimental use. Its IUPAC name is ethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate;hydrate;hydrochloride. Ideal for researchers investigating enzyme inhibitors, receptor modulators, or fluorinated amino acid analogs, this product is rigorously characterized by NMR, HPLC, and mass spectrometry to guarantee ≥95% purity. Store at 2-8°C in a tightly sealed container under inert atmosphere to maintain integrity.

Properties

• CAS Number: 1315449-99-0
• Complexity: 312
• IUPAC Name: ethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate;hydrate;hydrochloride
• InChI: InChI=1S/C13H16F3NO2.ClH.H2O/c1-3-19-11(18)12(2,17)8-9-4-6-10(7-5-9)13(14,15)16;;/h4-7H,3,8,17H2,1-2H3;1H;1H2/t12-;;/m1../s1
• InChI Key: RUUKZOPTTLWCNM-CURYUGHLSA-N
• Exact Mass: 329.1005556
• Molecular Formula: C13H19ClF3NO3
• Molecular Weight: 329.74
• SMILES: CCOC(=O)[C@@](C)(CC1=CC=C(C=C1)C(F)(F)F)N.O.Cl
• Topological: 53.3
• Monoisotopic Mass: 329.1005556
• Synonyms: 1315449-99-0, D-Phenylalanine, alpha-methyl-4-(trifluoromethyl)-, ethyl ester, hydrochloride, hydrate (1:1:1), H-alpha-Me-D-Phe(4-CF3)-OEt*HCl*H2O, ethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate;hydrate;hydrochloride, (R)-a-Methyl-4-trifluoromethylphenylalanine ethyl ester hydrochroride monohydrate, (R)-alpha-Methyl-4-triflu-oromethylphenylala-nine ethyl ester- hydrochloride- monohydrate, D-Phenylalanine, |A-methyl-4-(trifluoromethyl)-, ethyl ester, hydrochloride, hydrate (1:1:1)

Application

This compound serves as a key intermediate in the synthesis of fluorinated peptidomimetics and bioactive molecules, particularly in drug discovery targeting neurological and metabolic disorders. Its trifluoromethyl group enhances lipophilicity and metabolic stability, making it suitable for probing structure-activity relationships (SAR) in medicinal chemistry. Researchers also utilize it to study chiral recognition in asymmetric catalysis or as a precursor for radiolabeled tracers in PET imaging.

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