L-Tyrosine tert-butyl ester - ≥98% , CAS No.16874-12-7

CAS: 16874-12-7 Cat. No.: T109225 Peso molecular: 237.29 Beilstein Registry Number: 2696011 Número EC: 240-902-3

GRADE & PURITY ≥98%

Synonyms

AKOS010365905 | DTXSID20193443 | SCHEMBL594571 | T-9250 | L-Tyrosine tert-butyl ester, >=99.0% (NT) | MFCD00042644 | A811008 | 2-Iodo-1,3,5-trimethylbenzene # | AS-12786 | HY-34519 | EN300-257703 | T2446 | DIGHFXIWRPMGSA-NSHDSACASA-N | L-Tyrosine 1,1-dime

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AKOS010365905 | DTXSID20193443 | SCHEMBL594571 | T-9250 | L-Tyrosine tert-butyl ester, >=99.0% (NT) | MFCD00042644 | A811008 | 2-Iodo-1, 3, 5-trimethylbenzene # | AS-12786 | HY-34519 | EN300-257703 | T2446 | DIGHFXIWRPMGSA-NSHDSACASA-N | L-Tyrosine 1, 1-dime

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: 504764399
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764399
• Sonrisas canónicas: CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)O)N
• IUPAC Name: tert-butyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
• InChIKey: DIGHFXIWRPMGSA-NSHDSACASA-N
• INCHI: 1S/C13H19NO3/c1-13(2,3)17-12(16)11(14)8-9-4-6-10(15)7-5-9/h4-7,11,15H,8,14H2,1-3H3/t11-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)[C@H](CC1=CC=C(C=C1)O)N
• WGK Alemania: 3
• Peso molecular: 237.29
• Beilstein: 2696011
• Reaxy-Rn: 2846630
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2846630&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 Tyrosine 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: Tyrosine and derivatives
• Alternative Parents: Phenylalanine and derivatives Alpha amino acid esters Amphetamines and derivatives Fatty acid esters Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines 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 - Aralkylamine - Phenol - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air sensitive
• Rotación específica [α]: 25 ° (C=2, EtOH)
• Punto de fusión (°C): 140-145°C
• Peso molecular: 237.290 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 237.136 Da
• Monoisotopic Mass: 237.136 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 252.000
• 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: 1