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D27802

Sigma-Aldrich

1,4-Diazabicyclo[2.2.2]octane

greener alternative

ReagentPlus®, ≥99%

Sinónimos:
Triethylenediamine, TED
Empirical Formula (Hill Notation):
C6H12N2
Número de CAS:
Peso molecular:
112.17
Beilstein:
103618
Número de EC:
Número MDL:
ID de la sustancia en PubChem:
NACRES:
NA.21

Nivel de calidad

200

presión de vapor

2.9 mmHg ( 50 °C)

línea de producto

ReagentPlus®

ensayo

≥99%

características de los productos alternativos más sostenibles

Catalysis
Learn more about the Principles of Green Chemistry.

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

SMILES string

N12CCN(CC2)CC1

InChI

1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2

InChI key

IMNIMPAHZVJRPE-UHFFFAOYSA-N

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Descripción general

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.
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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

Envase

25, 100, 500 g in poly bottle
2 kg in poly bottle

Información legal

ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Palabra de señalización

Danger

Frases de peligro

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

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 P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Certificado de Análisis

Certificado de origen

Hydrogen bonding in the perhydrate and hydrates of 1,4-diazabicyclo [2.2.2] octane (DABCO).
Laus G, et al.
CrystEngComm, 10(11), 1638-1644 (2008)
Structure and Intramolecular Motions in Triethylenediamine as Studied by Gas Electron Diffraction.
Yokozeki A and Kuchitsu K.
Bulletin of the Chemical Society of Japan, 44(1), 72-77 (1971)
Experimental vibrational spectra and computational study of 1,4-diazabicyclo [2.2.2] octane.
Kovalenko VI, et al.
Journal of Molecular Structure, 1028, 134-140 (2012)
Multiphoton ionization and two-photon fluorescence excitation spectroscopy of triethylenediamine.
Parker DH and Avouris P.
J. Chem. Phys. , 71(3), 1241-1246 (1979)
Proton Magnetic Resonance Studies of Solid Triethylenediamine-Molecular Structure and Motions.
Smith GW.
J. Chem. Phys. , 43(12), 4325-4336 (1965)

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