D27802

1,4-Diazabicyclo[2.2.2]octane

ReagentPlus^®, ≥99%

• Synonyme(s) : TED, Triethylenediamine
• Formule empirique (notation de Hill): C₆H₁₂N₂
• Numéro CAS: 280-57-9
• Poids moléculaire : 112.17
• Numéro Beilstein : 103618
• Numéro CE : 205-999-9
• Numéro MDL: MFCD00006689
• Code UNSPSC : 12352100
• ID de substance PubChem : 57654087
• Nomenclature NACRES : NA.21

Propriétés

• Pression de vapeur: 2.9 mmHg ( 50 °C)
• Niveau de qualité: 200
• Gamme de produits: ReagentPlus^®
• Pureté: ≥99%
• Forme: crystals
• Caractéristiques du produit alternatif plus écologique: Catalysis; Learn more about the Principles of Green Chemistry.
• sustainability: Greener Alternative Product
• Indice de réfraction: n20/D 1.4634 (lit.)
• Pf: 156-159 °C (lit.)
• Densité: 1.02 g/mL at 25 °C (lit.)
• Autre catégorie plus écologique: , Aligned
• Chaîne SMILES: N12CCN(CC2)CC1
• InChI: 1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
• Clé InChI: IMNIMPAHZVJRPE-UHFFFAOYSA-N

Description

Description générale

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.

Application

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

Informations légales

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

Informations sur la sécurité

• Pictogrammes: GHS02,GHS05,GHS07
• Mention d'avertissement: Danger
• Mentions de danger: H228,H302,H315,H318
• Conseils de prudence: P210 - P240 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Classification des risques: Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Sol. 1 - Skin Irrit. 2
• Code de la classe de stockage: 4.1B - Flammable solid hazardous materials
• Classe de danger pour l'eau (WGK): WGK 1
• Point d'éclair (°F): 144.0 °F - closed cup
• Point d'éclair (°C): 62.2 °C - closed cup
• Équipement de protection individuelle: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges