Boc-D-phenylalanine methyl ester - ≥98% , CAS No.77119-84-7

CAS: 77119-84-7 Cat. No.: B356644 Fórmula: C₁₅H₂₁NO₄ Peso molecular: 279.33

GRAU & PUREZA ≥98%

Synonyms

AC-24282 | (R)-methyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate | DS-14176 | Methyl (tert-butoxycarbonyl)-D-phenylalaninate | AM83099 | HY-W039758 | AKOS015889995 | PD197100 | BOC-D-PHE-OME | Boc-DPhe-OMe | SDSWSVBXRBXPRL-GFCCVEGCSA-N | (R)-Methyl 2

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

AC-24282 | (R)-methyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate | DS-14176 | Methyl (tert-butoxycarbonyl)-D-phenylalaninate | AM83099 | HY-W039758 | AKOS015889995 | PD197100 | BOC-D-PHE-OME | Boc-DPhe-OMe | SDSWSVBXRBXPRL-GFCCVEGCSA-N | (R)-Methyl 2

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508810348

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810348

Sorrisos canónicos

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)OC

IUPAC Name

methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate

InChIKey

SDSWSVBXRBXPRL-GFCCVEGCSA-N

INCHI

1S/C15H21NO4/c1-15(2,3)20-14(18)16-12(13(17)19-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,18)/t12-/m1/s1

SMILES isoméricas

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)OC

Peso molecular

279.33

Reaxy-Rn

2749835

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2749835&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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 Methyl esters Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water.
• Sensibilidade: Moisture sensitive
• Ponto de fusão (°C): 40-50° C
• Peso molecular: 279.330 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 279.147 Da
• Monoisotopic Mass: 279.147 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 329.000
• 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