145429-03-4

Basic information

• Product Name: C₂₀H₃₅N₂O₂S⁽¹⁺⁾
• CAS NO: 145429-03-4
• Molecular Weight: 367.576
• Mol File: 145429-03-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₂₀H₃₅N₂O₂S⁽¹⁺⁾(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₀H₃₅N₂O₂S⁽¹⁺⁾(145429-03-4)
• EPA Substance Registry System: C₂₀H₃₅N₂O₂S⁽¹⁺⁾(145429-03-4)

Safety Data

• Hazardous Substances Data: 145429-03-4(Hazardous Substances Data)

Upstream product

• 100632-81-3 ibutilide 
• 100632-81-3 ibutilide 

Relevant articles and documents

Racemization and intramolecular nucleophilic substitution reactions of ibutilide

The kinetics and mechanisms of the racemization and cyclization reactions of ibutilide are described. The cyclization reaction yields a bell-shaped rate-pH curve consistent with a change in rate-determining step. It is hypothesized that the hydroxyl group leaves to form a carbocation intermediate; this is followed by nucleophilic attack by the amine. This mechanism is supported by kinetic analysis, aniline trapping of carbocation intermediate, and observation of all four stereo-isomers of the resulting quaternary ammonium compound. Whereas racemization can also progress through the carbocation intermediate, a direct S(N)2 mechanism appears to be the major route for the racemization reaction.