CAS 1632-26-4

1,2-diazabicyclo[2.2.2]octan-3-one

Description:

1,2-Diazabicyclo[2.2.2]octan-3-one, also known as DABCO, is a bicyclic organic compound characterized by its unique bicyclic structure that includes two nitrogen atoms in a diazabicyclo framework. This compound is typically a colorless to pale yellow solid at room temperature and is soluble in polar solvents such as water and alcohols. DABCO is known for its role as a catalyst in various chemical reactions, particularly in the synthesis of polyurethanes and as a nucleophilic base in organic synthesis. Its basicity is attributed to the presence of the nitrogen atoms, which can participate in proton transfer reactions. Additionally, DABCO exhibits good thermal stability and is relatively inert under standard conditions, making it a valuable reagent in laboratory and industrial applications. The compound's structure allows for potential interactions with other molecules, contributing to its utility in catalysis and as a ligand in coordination chemistry. Overall, 1,2-diazabicyclo[2.2.2]octan-3-one is a versatile compound with significant applications in organic synthesis and materials science.

Formula: C₆H₁₀N₂O

InChI: InChI=1/C6H10N2O/c9-6-5-1-3-8(7-6)4-2-5/h5H,1-4H2,(H,7,9)

SMILES: C1CN2CCC1C(=N2)O

1,2-Diazabicyclo[2.2.2]octan-3-one

CAS: 1632-26-4

Formula: C₆H₁₀N₂O

Color and Shape: Solid

Molecular weight: 126.1564

Ref: IN-DA001TV5

1,2-Diazabicyclo[2.2.2]octan-3-one

Controlled Product

CAS: 1632-26-4

Applications 1,2-Diazabicyclo[2.2.2]octan-3-one is an intermediate used in the synthesis of Bicyclo Risperidone (B382800), which is an impurity of Risperidone (R525000); a combined serotonin (5-HT2) and dopamine (D2) receptor antagonist.
References Jannssen, P.A.J., et al.: J. Pharmacol. Exp. Ther., 244, 685 (1988); Gelders, Y.G., et al.: Pharmacopsychiatry, 23, 206 (1990); Green, B.: Curr. Med. Res. Opin., 16, 57 (2000)

Formula: C₆H₁₀N₂O

Color and Shape: Neat

Molecular weight: 126.16

Ref: TR-D417148