Boc-D-Phe-OH - ≥99% , CAS No.18942-49-9

CAS: 18942-49-9 Cat. No.: B105768 Fórmula: C₁₄H₁₉NO₄ Peso molecular: 265.3 Beilstein Registry Number: 4695945 Número CE: 606-177-6

GRADE & PURITY ≥99%

Synonyms

N-Boc-D-Phe | A813323 | N-Boc-D-phenylalanine | AKOS015888245 | (2R)-2-tert-butoxycarbonylamino-3-phenylpropionic acid | (2R)-2-tert-butoxycarbonylamino-3-phenyl-propionic acid | B2989 | SCHEMBL606309 | DS-13505 | N-tert-butyloxycarbonyl-D-phenylalanine |

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Specifications

Sinónimos

N-Boc-D-Phe | A813323 | N-Boc-D-phenylalanine | AKOS015888245 | (2R)-2-tert-butoxycarbonylamino-3-phenylpropionic acid | (2R)-2-tert-butoxycarbonylamino-3-phenyl-propionic acid | B2989 | SCHEMBL606309 | DS-13505 | N-tert-butyloxycarbonyl-D-phenylalanine |

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Pureza

≥99%

Nomes e identificadores

• Pubchem Sid: 488190852
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190852
• Sorrisos canónicos: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O
• IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
• InChIKey: ZYJPUMXJBDHSIF-LLVKDONJSA-N
• INCHI: 1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m1/s1
• SMILES isoméricas: CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)O
• WGK Alemanha: 3
• Peso molecular: 265.3
• Beilstein: 4695945
• Reaxy-Rn: 1130179
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1130179&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: Phenylpropanoic acids Amphetamines and derivatives Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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

• Sensibilidade: Heat Sensitive
• Rotação específica [α]: -25 ° (C=1, EtOH)
• Ponto de fusão (°C): 85-88°C
• Peso molecular: 265.300 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 265.131 Da
• Monoisotopic Mass: 265.131 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 316.000
• 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

Referências

1. Juexin Huang, Jingyi Xia, Sravan Baddi, Yu Zhao, Chuan-liang Feng.  (2025)  Dual-Scale Polarization Engineering of d-Phenylalanine-Based Assemblies for High-Performance Nanogenerators.  ACS Nano,      [PMID:40598888] [10.1021/acsnano.5c03436]