BOC-D-Homophenylalanine - ≥98%(HPLC) , CAS No.82732-07-8

CAS: 82732-07-8 Cat. No.: B117176 Summenformel: C₁₅H₂₁NO₄ Molekulargewicht: 279.33 Beilstein Registry Number: 3653505 EG-Nummer: 836-545-3

QUALITÄT & REINHEIT ≥98%(HPLC)

Synonyms

(R)-2-(TERT-BUTOXYCARBONYLAMINO)-4-PHENYLBUTANOIC ACID | F14563 | BOC-D-HPHE-OH | (S)-2-(BOC-AMINO)-4-PHENYL-BUTYRIC ACID | MCODLPJUFHPVQP-GFCCVEGCSA-N | (R)-2-((tert-Butoxycarbonyl)amino)-4-phenylbutanoic acid | (2R)-2-{[(tert-butoxy)carbonyl]amino}-4-ph

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

(R)-2-(Boc-amino)-4-phenylbutyric acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.  

Spezifikationen

Synonyme

(R)-2-(TERT-BUTOXYCARBONYLAMINO)-4-PHENYLBUTANOIC ACID | F14563 | BOC-D-HPHE-OH | (S)-2-(BOC-AMINO)-4-PHENYL-BUTYRIC ACID | MCODLPJUFHPVQP-GFCCVEGCSA-N | (R)-2-((tert-Butoxycarbonyl)amino)-4-phenylbutanoic acid | (2R)-2-{[(tert-butoxy)carbonyl]amino}-4-ph

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

504761425

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761425

Kanonisches Lächeln

CC(C)(C)OC(=O)NC(CCC1=CC=CC=C1)C(=O)O

IUPAC Name

(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid

InChIKey

MCODLPJUFHPVQP-GFCCVEGCSA-N

INCHI

1S/C15H21NO4/c1-15(2,3)20-14(19)16-12(13(17)18)10-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1

Isomere SMILES

CC(C)(C)OC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)O

WGK Deutschland

3

Molekulargewicht

279.33

Beilstein

3653505

Reaxy-Rn

4697325

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4697325&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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 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: Alpha-amino acid or derivatives - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water
• Schmelzpunkt (°C): 71-78℃
• Molekulargewicht: 279.330 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 279.147 Da
• Monoisotopic Mass: 279.147 Da
• Topological Polar Surface Area: 75.600 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