L-Phenylalanine methyl ester hydrochloride - ≥98% , CAS No.7524-50-7

CAS: 7524-50-7 Cat. No.: P109006 Peso molecular: 215.68 Beilstein Registry Number: 3597948 Número EC: 231-383-4

GRADE & PURITY ≥98%

Synonyms

AS-12761 | L-Phenylalanine methyl ester hydrochloride | methyl (2S)-2-amino-3-phenylpropanoate hydrochloride | methyl (2S)-2-amino-3-phenyl-propanoate hydrochloride | AKOS015845884 | J-520418 | Methyl L-phenylalaninate hydrochloride | DTXSID00948635 | L-P

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

L-Phenylalanine methyl ester hydrochloride is the protected (S) enantiomer of the amino acid Phenylalanine.
A protected (S) enantiomer of Phenylalanine.

Specifications

Sinónimos

AS-12761 | L-Phenylalanine methyl ester hydrochloride | methyl (2S)-2-amino-3-phenylpropanoate hydrochloride | methyl (2S)-2-amino-3-phenyl-propanoate hydrochloride | AKOS015845884 | J-520418 | Methyl L-phenylalaninate hydrochloride | DTXSID00948635 | L-P

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488185160
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185160
• Sonrisas canónicas: COC(=O)C(CC1=CC=CC=C1)N.Cl
• IUPAC Name: methyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
• InChIKey: SWVMLNPDTIFDDY-FVGYRXGTSA-N
• INCHI: 1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m0./s1
• Isómeros SMILES: COC(=O)[C@H](CC1=CC=CC=C1)N.Cl
• WGK Alemania: 3
• Peso molecular: 215.68
• Beilstein: 3597948
• Reaxy-Rn: 6772871
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6772871&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Alpha amino acid esters Amphetamines and derivatives Fatty acid esters Aralkylamines Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Fatty acid ester - Aralkylamine - 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
• Descripción: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: It is soluble in methanol. (5mg/ ml-clear colorless solution)
• Sensibilidad: Hygroscopic.
• Rotación específica [α]: 38 ° (C=2, EtOH)
• Punto de fusión (°C): 158-162°C
• Peso molecular: 215.670 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 215.071 Da
• Monoisotopic Mass: 215.071 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 164.000
• 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

Referencias

1. Luyao Zheng, Zhiyuan Zhao, Ye Yang, Yaming Li, Chengxiao Wang.  (2020)  Novel skin permeation enhancers based on amino acid ester ionic liquid: Design and permeation mechanism.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:31953082] [10.1016/j.ijpharm.2020.119031]

2. Hao Qian, Xiaofei Shen, Hailong Huang, Yan Zhang, Mingtao Zhang, Huiqing Wang, Zhongkai Wang.  (2019)  Helical poly(phenyl isocyanide)s grafted selectively on C-6 of cellulose for improved chiral recognition ability.  CARBOHYDRATE POLYMERS,      [PMID:31888853] [10.1016/j.carbpol.2019.115737]

3. Wenya Feng, Juan Qiao, Dan Li, Li Qi.  (2018)  Chiral ligand exchange capillary electrochromatography with dual ligands for enantioseparation of D,L-amino acids.  TALANTA,      [PMID:30609554] [10.1016/j.talanta.2018.10.059]

4. Yingjue Wang, Zhenzhen Zhang, Yanggang Gao, Gang Zou, Qijin Zhang.  (2017)  Supramolecular chirality of amphiphilic block copolymer films made through two steps: self-assembling first, and then solution coating.  Soft Matter,  13  (43): (7856-7861).  [PMID:29018862] [10.1039/C7SM01635B]

5. Guofeng Liu, Jinying Liu, Chuanliang Feng, Yanli Zhao.  (2017)  Unexpected right-handed helical nanostructures co-assembled from L-phenylalanine derivatives and achiral bipyridines.  Chemical Science,  8  (3): (1769-1775).  [PMID:29780452] [10.1039/C6SC04808K]

6. Xiao-Qiu Dou, Jia Zhang, Chuanliang Feng.  (2015)  Biotin–Avidin Based Universal Cell–Matrix Interaction for Promoting Three-Dimensional Cell Adhesion.  ACS Applied Materials & Interfaces,      [PMID:26329042] [10.1021/acsami.5b05828]

7. Nan Li, Yong Shen, Li Qi, Zhibo Li, Juan Qiao, Yi Chen.  (2015)  Preparation of an amino acid-based polymer monolith for trimodal liquid chromatography.  RSC Advances,  5  (75): (61436-61439).  [PMID:] [10.1039/C5RA12203A]

8. Ping Li, Xiao-Qiu Dou, Yi-Tian Tang, Shenmin Zhu, Jiajun Gu, Chuan-Liang Feng, Di Zhang.  (2012)  Gelator-polysaccharide hybrid hydrogel for selective and controllable dye release.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:22958852] [10.1016/j.jcis.2012.07.059]

9. Xiaoqiu Dou, Ping Li, Di Zhang, Chuan-Liang Feng.  (2012)  C2-symmetric benzene-based hydrogels with unique layered structures for controllable organic dye adsorption.  Soft Matter,  8  (11): (3231-3238).  [PMID:] [10.1039/C2SM06927J]

10. Chaoqun Yi, Linlin Chen, Chenqi Ping, Ruihan Zhang, Caifu Dong, Yaoguo Huang, Ming Wang, Yali Zhang.  (2024)  Organic molecular intercalation regulated hydrated vanadate cathodes with improved electrochemical properties and fast kinetics for aqueous zinc-ion batteries.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2024.113716]

11. Zutian Bi, Ying Ge, Zhao Chen, Xiaomei Pei, Zhenggang Cui, Binglei Song.  (2026)  Strong Viscoelastic Glycerol Solutions Formed from Phenylalanine-Based Amine Oxide Surfactants.  Soft Matter,      [PMID:41733984] [10.1039/D5SM01213A]