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

CAS: 870-46-2 Cat. No.: B106949 Formula: C₅H₁₂N₂O₂ Peso molecolare: 132.16 Beilstein Registry Number: 1756967 Numero 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508812843

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812843

Sorrisi canonici

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)

Isomeri SMILES

CC(C)(C)OC(=O)NN

WGK Germania

3

CAS alternativo

870-46-2

Numero NSC

60250

Numero UN

1325

Gruppo di imballaggio

III

Termini MeSH

tert-butyl carbazate

Peso molecolare

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
    • Classe Carboxylic acids and derivatives
      • Subclass Hydrazinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in methanol (100 mg/mL), and ethanol (50 mg/mL).,
• Sensibilità: Moisture, Air and Heat sensitive
• Indice di rifrazione: 1.427
• Punto di infiammabilità (°F): 197.6 °F
• Punto di infiammabilità (°C): 91 °C
• Punto di ebollizione (°C): 63-65°C
• Punto di fusione (°C): 37-41°C
• Peso molecolare: 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