Dibenzyl azodicarboxylate - ≥94%, used for 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 o

CAS: 2449-05-0 Cat. No.: D113409 Fórmula: C₁₆H₁₄N₂O₄ Peso molecular: 298.29 Beilstein Registry Number: 2298734 Número CE: 219-508-0

GRAU & PUREZA ≥94%

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

Visão geral

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

Especificações

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 |

Especificações e pureza

≥94%

Aplicação

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

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

≥94%

Nomes e identificadores

Pubchem Sid

504754962

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754962

Sorrisos canónicos

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

SMILES isoméricas

C1=CC=C(C=C1)COC(=O)N=NC(=O)OCC2=CC=CC=C2

WGK Alemanha

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
    • Classe Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°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