Dibenzyl azodicarboxylate - technical grade, ≥90% , CAS No.2449-05-0

CAS: 2449-05-0 Cat. No.: D432367 Peso molecular: 298.29 Beilstein Registry Number: 2298734 Número EC: 219-508-0

GRADE & PURITY Technical grade, ≥90%

Synonyms

AKOS024348901 | NCI60_006088 | Q27285524 | Dibenzyl azodicarboxylate | benzyl N-phenylmethoxycarbonyliminocarbamate | FT-0624649 | IRJKSAIGIYODAN-UHFFFAOYSA-N | DTXSID3044887 | IRJKSAIGIYODAN-ISLYRVAYSA-N | C93451 | Dibenzyl (E)-1,2-diazenedicarboxylate |

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Dibenzyl azodicarboxylate undergoes[4+2] cycloaddition reaction with glycal to yield 2-aminoglycosides.

Application

Dibenzyl azodicarboxylate was used as electrophilic reagent in the synthesis of C -glycosyl α-amino acids via proline-catalyzed α-amination of C -glycosylalkyl aldehydes. It was used in enantioselective synthesis of optically active pyrazolidine derivatives.

Specifications

Sinónimos

AKOS024348901 | NCI60_006088 | Q27285524 | Dibenzyl azodicarboxylate | benzyl N-phenylmethoxycarbonyliminocarbamate | FT-0624649 | IRJKSAIGIYODAN-UHFFFAOYSA-N | DTXSID3044887 | IRJKSAIGIYODAN-ISLYRVAYSA-N | C93451 | Dibenzyl (E)-1, 2-diazenedicarboxylate |

Especificaciones y pureza

technical grade, ≥90%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Technical grade

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)COC(=O)N=NC(=O)OCC2=CC=CC=C2
• IUPAC Name: benzyl N-phenylmethoxycarbonyliminocarbamate
• InChIKey: IRJKSAIGIYODAN-UHFFFAOYSA-N
• INCHI: 1S/C16H14N2O4/c19-15(21-11-13-7-3-1-4-8-13)17-18-16(20)22-12-14-9-5-2-6-10-14/h1-10H,11-12H2
• Isómeros SMILES: C1=CC=C(C=C1)COC(=O)N=NC(=O)OCC2=CC=CC=C2
• WGK Alemania: 3
• Peso molecular: 298.29
• Beilstein: 2298734
• Reaxy-Rn: 2298734
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2298734&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Organic carbonic acids and derivatives Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Carbonic acid derivative - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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

• Punto de fusión (°C): 44°C-46°C
• Peso molecular: 298.290 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 298.095 Da
• Monoisotopic Mass: 298.095 Da
• Topological Polar Surface Area: 77.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 350.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1