tert-Butyl carbazate - ≥98% , CAS No.870-46-2

CAS: 870-46-2 Cat. No.: B106949 Peso molecular: 132.16 Beilstein Registry Number: 1756967 Número EC: 212-795-3

GRADE & PURITY ≥98%

Synonyms

1-Boc hydrazine(BOC-NHNH2) | carbazi acid tert-butyl ester | monoBOC-hydrazine | N-[(t-Butyloxy)carbonyl]hydrazine | tert-Butyl carbazate | AS-13557 | iert-butyl carbazate | NSC60250 | teri-butyl carbazate | hydrazinecarboxylic acid tert-butylester | STK0

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Starting material for the preparation of BOC-azide, a reagent to introduce the BOC amino protection. Reagent for the synthesis of sulfonic and carboxylic hydrazides.
Employed in a palladium-catalyzed cross-coupling with vinyl halides leading to N-Boc-N-alkenylhydrazines. Reagent used in solid phase peptide synthesis and in α-amino aldehyde optical purity determinations. Condenses with aldehydes to form hydrazones which are intermediates in the synthesis of HIV-1 protease inhibitors

Specifications

Sinónimos

1-Boc hydrazine(BOC-NHNH2) | carbazi acid tert-butyl ester | monoBOC-hydrazine | N-[(t-Butyloxy)carbonyl]hydrazine | tert-Butyl carbazate | AS-13557 | iert-butyl carbazate | NSC60250 | teri-butyl carbazate | hydrazinecarboxylic acid tert-butylester | STK0

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NN
• IUPAC Name: tert-butyl N-aminocarbamate
• InChIKey: DKACXUFSLUYRFU-UHFFFAOYSA-N
• INCHI: 1S/C5H12N2O2/c1-5(2,3)9-4(8)7-6/h6H2,1-3H3,(H,7,8)
• Isómeros SMILES: CC(C)(C)OC(=O)NN
• WGK Alemania: 3
• CAS alternativo: 870-46-2
• Número NSC: 60250
• Número ONU: 1325
• Grupo de embalaje: III
• Términos de entrada MeSH: tert-butyl carbazate
• Peso molecular: 132.16
• Beilstein: 1756967
• Reaxy-Rn: 1756967
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1756967&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Hydrazinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Hydrazinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrazinecarboxylic acid esters
• Alternative Parents: Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrazinecarboxylic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydrazinecarboxylic acid esters. These are ester derivatives of hydrazinecarboxylic acids.
• 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

• Solubilidad: Soluble in methanol (100 mg/mL), and ethanol (50 mg/mL).,
• Sensibilidad: Moisture, Air and Heat sensitive
• Índice de refracción: 1.427
• Punto de inflamación (°F): 197.6 °F
• Punto de inflamación (°C): 91 °C
• Punto de ebullición (°C): 63-65°C
• Punto de fusión (°C): 37-41°C
• Peso molecular: 132.160 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 132.09 Da
• Monoisotopic Mass: 132.09 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 106.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Referencias

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