1369898-90-7

Basic information

• Product Name: 3-tert-butoxy-4-bromobenzonitrile
• Synonyms: 3-tert-butoxy-4-bromobenzonitrile
• CAS NO: 1369898-90-7
• Molecular Weight: 254.126
• Mol File: 1369898-90-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3-tert-butoxy-4-bromobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-tert-butoxy-4-bromobenzonitrile(1369898-90-7)
• EPA Substance Registry System: 3-tert-butoxy-4-bromobenzonitrile(1369898-90-7)

Safety Data

• Hazardous Substances Data: 1369898-90-7(Hazardous Substances Data)

Upstream product

• 133059-44-6 4-bromo-3-fluorobenzonitrile 
• 865-47-4 potassium tert-butylate 

Relevant articles and documents

High-yielding palladium-catalyzed intramolecular alkane arylation: Reaction development and mechanistic studies

Palladium-catalyzed alkane arylation reactions with aryl halides are described for the preparation of 2,2-dialkyl-dihydrobenzofuran substrates. These reactions occur in excellent yield and very high selectivity for the formation of one sole product arising from a reaction at nearby methyl groups. Mechanistic and computational studies point to the involvement of a concerted, inner-sphere palladation-deprotonation pathway that is enabled by the presence of three-center agostic interactions at the transition state. This mechanism accurately predicts the experimentally observed kinetic isotope effect as well as the site selectivity and should be useful in the design of new reactions and catalysts. Copyright