L-Tyrosine methyl ester hydrochloride - ≥98% , CAS No.3417-91-2

CAS: 3417-91-2 Cat. No.: T100470 Molecular Weight: 231.68 Beilstein Registry Number: 3917353 EC Number: 222-313-3

GRADE & PURITY ≥98%

Synonyms

H-Tyr-OMe.HCl | methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate hydrochloride | METHYL TYROSINATE HCL | Tyrosine Methyl-Ester HCl | (S)-2-amino-3-(4-hydroxyphenyl)propionic acid methyl ester hydrochloride | (S)-2-Amino-3-(4-hydroxy-phenyl)-propionic aci

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

H-Tyr-OMe.HCl | methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate hydrochloride | METHYL TYROSINATE HCL | Tyrosine Methyl-Ester HCl | (S)-2-amino-3-(4-hydroxyphenyl)propionic acid methyl ester hydrochloride | (S)-2-Amino-3-(4-hydroxy-phenyl)-propionic aci

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755122
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755122
• Canonical Smiles: COC(=O)C(CC1=CC=C(C=C1)O)N.Cl
• IUPAC Name: methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride
• InChIKey: VXYFARNRGZWHTJ-FVGYRXGTSA-N
• INCHI: 1S/C10H13NO3.ClH/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/m0./s1
• Isomeric SMILES: COC(=O)[C@H](CC1=CC=C(C=C1)O)N.Cl
• WGK Germany: 3
• Molecular Weight: 231.68
• Beilstein: 3917353
• Reaxy-Rn: 4358911
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4358911&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Tyrosine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Tyrosine and derivatives
• Alternative Parents: Phenylalanine and derivatives Alpha amino acid esters Amphetamines and derivatives Fatty acid esters Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Aralkylamine - Phenol - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrochloride - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: （Solubility in Water）：very faint turbidity
• Specific Rotation[α]: 13 ° (C=2, MeOH)
• Melt Point(°C): 187-194°C
• Molecular Weight: 231.670 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 231.066 Da
• Monoisotopic Mass: 231.066 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 188.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Siqiang Wang, Kai Li, Zitang Xu, Hao Wang, Qiyang Wang, Ao Lin, Pengbo Wang, Xiaoman Xie, Li Xu, Yunjun Yan.  (2026)  Mussel-inspired bioadhesive via enzymatic adhesive peptide synthesis and liquid-liquid phase separation for robust adhesion in harsh environments.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.173645]