D27802

1,4-Diazabicyclo[2.2.2]octane

ReagentPlus^®, ≥99%

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

Propriedades

• pressão de vapor: 2.9 mmHg ( 50 °C)
• Nível de qualidade: 200
• linha de produto: ReagentPlus^®
• Ensaio: ≥99%
• forma: crystals
• características do produto alternativo mais ecológico: Catalysis; Learn more about the Principles of Green Chemistry.
• sustainability: Greener Alternative Product
• índice de refração: n20/D 1.4634 (lit.)
• pf: 156-159 °C (lit.)
• densidade: 1.02 g/mL at 25 °C (lit.)
• categoria alternativa mais ecológica: , Aligned
• cadeia de caracteres SMILES: N12CCN(CC2)CC1
• InChI: 1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
• chave InChI: IMNIMPAHZVJRPE-UHFFFAOYSA-N

Descrição

Descrição geral

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.

Aplicação

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

Informações legais

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

Informações de segurança

• Pictogramas: GHS02,GHS05,GHS07
• Palavra indicadora: Danger
• Frases de perigo: H228,H302,H315,H318
• Declarações de precaução: P210 - P240 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Classificações de perigo: Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Sol. 1 - Skin Irrit. 2
• Código de classe de armazenamento: 4.1B - Flammable solid hazardous materials
• Classe de risco de água (WGK): WGK 1
• Ponto de fulgor (°F): 144.0 °F - closed cup
• Ponto de fulgor (°C): 62.2 °C - closed cup
• Equipamento de proteção individual: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges