Boc-Phg-OH - ≥98% , CAS No.2900-27-8

CAS: 2900-27-8 Cat. No.: B109237 Molecular Weight: 251.28 Beilstein Registry Number: 3592362 EC Number: 691-414-6

GRADE & PURITY ≥98%

Synonyms

(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-phenylacetic acid | B3211 | N-BOC-L-ALPHA-PHENYLGLYCINE | Boc-L-Phg-OH | Boc-Phg-OH | Boc-Phg-OH, >=99.0% (T) | (S)-2-((tert-Butoxycarbonyl)amino)-2-phenylacetic acid | M03228 | J-017350 | NSC-5953 | (S)-BOC-L-PHENY

Storage

Room temperature

Shipped In

Normal

Overview

Application

Boc-L-Phg-OH, is an amino acid building block used in peptide synthesis. With a growing peptide drug market the fast, reliable synthesis of peptides is of great importance.

Specifications

Synonyms

(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-phenylacetic acid | B3211 | N-BOC-L-ALPHA-PHENYLGLYCINE | Boc-L-Phg-OH | Boc-Phg-OH | Boc-Phg-OH, >=99.0% (T) | (S)-2-((tert-Butoxycarbonyl)amino)-2-phenylacetic acid | M03228 | J-017350 | NSC-5953 | (S)-BOC-L-PHENY

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197053
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197053
• Canonical Smiles: CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)O
• IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid
• InChIKey: HOBFSNNENNQQIU-JTQLQIEISA-N
• INCHI: 1S/C13H17NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,17)(H,15,16)/t10-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](C1=CC=CC=C1)C(=O)O
• WGK Germany: 3
• Molecular Weight: 251.28
• Beilstein: 3592362
• Reaxy-Rn: 529873
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=529873&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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Benzene and substituted derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water; Soluble in Methanol
• Specific Rotation[α]: [α]D 142° (C=1,EtOH)
• Melt Point(°C): 88-91°C
• Molecular Weight: 251.280 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 251.116 Da
• Monoisotopic Mass: 251.116 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 303.000
• 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