D27802

1,4-Diazabicyclo[2.2.2]octane

ReagentPlus^®, ≥99%

• Sinónimos: TED, Triethylenediamine
• Fórmula empírica (notación de Hill): C₆H₁₂N₂
• Número de CAS: 280-57-9
• Peso molecular: 112.17
• Beilstein: 103618
• Número CE: 205-999-9
• Número MDL: MFCD00006689
• Código UNSPSC: 12352100
• ID de la sustancia en PubChem: 57654087
• NACRES: NA.21

Propiedades

• presión de vapor: 2.9 mmHg ( 50 °C)
• Nivel de calidad: 200
• Línea del producto: ReagentPlus^®
• Análisis: ≥99%
• formulario: crystals
• características de los productos alternativos más sostenibles: Catalysis; Learn more about the Principles of Green Chemistry.
• sustainability: Greener Alternative Product
• índice de refracción: n20/D 1.4634 (lit.)
• mp: 156-159 °C (lit.)
• densidad: 1.02 g/mL at 25 °C (lit.)
• categoría alternativa más sostenible: , Aligned
• cadena SMILES: N12CCN(CC2)CC1
• InChI: 1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
• Clave InChI: IMNIMPAHZVJRPE-UHFFFAOYSA-N

Descripción

Descripción general

1,4-Diazabicyclo[2.2.2]octane (DABCO) is a bicyclic compound used as a strong base and catalyst in organic synthesis.

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1,4-Diazabicyclo[2.2.2]octane (DABCO, triethylenediamine), a caged tertiary diamine, is a commonly used strong hindered amine base in chemical synthesis. It can also be employed as a complexing ligand and as a catalyst. Its gas-phase electronic absorption spectrum, vibrational spectra, multiphoton ionization (MPI), and two-photon fluorescence excitation (TPFE) spectra have been recorded and analyzed. Proton magnetic resonance (PMR) studies of DABCO in solid state were conducted in order to determine its line width, second moment, and spin-lattice relaxation time.

Aplicación

1,4-Diazabicyclo[2.2.2]octane (DABCO) may be used in the synthesis of isoxazole derivatives via dehydration of primary nitro compounds in the presence of dipolarophiles. DABCO may be used in the preparation of the following:

• DABCO bis(perhydrate)
• DABCO monohydrate
• DABCO hexahydrate

Información legal

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

Información de seguridad

• Pictogramas: GHS02,GHS05,GHS07
• Palabra de señalización: Danger
• Frases de peligro: H228,H302,H315,H318
• Consejos de prudencia: P210 - P240 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Clasificaciones de peligro: Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Sol. 1 - Skin Irrit. 2
• Código de clase de almacenamiento: 4.1B - Flammable solid hazardous materials
• Clase de riesgo para el agua (WGK): WGK 1
• Punto de inflamabilidad (°F): 144.0 °F - closed cup
• Punto de inflamabilidad (°C): 62.2 °C - closed cup
• Equipo de protección personal: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges