1333261-98-5

Basic information

• Product Name: 4-chloro-2-phenyl-1-butyl benzoate
• Synonyms: 4-chloro-2-phenyl-1-butyl benzoate
• CAS NO: 1333261-98-5
• Molecular Weight: 288.774
• Mol File: 1333261-98-5.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 4-chloro-2-phenyl-1-butyl benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-chloro-2-phenyl-1-butyl benzoate(1333261-98-5)
• EPA Substance Registry System: 4-chloro-2-phenyl-1-butyl benzoate(1333261-98-5)

Safety Data

• Hazardous Substances Data: 1333261-98-5(Hazardous Substances Data)

Upstream product

• 16766-63-5 5-phenyl-3,4-dihydro-2H-pyran 
• 98-88-4 benzoyl chloride 

Relevant articles and documents

Reagent-dictated site selectivity in intermolecular aliphatic C-H functionalizations using nitrogen-centered radicals

The site selectivities of intermolecular, aliphatic C-H bond functionalizations are central to the value of these transformations. While the scope of these reactions continues to expand, the site selectivities remain largely dictated by the inherent reactivity of the substrate C-H bonds. Herein, we introduce reagent-dictated site selectivity to intermolecular aliphatic C-H functionalizations using nitrogen-centered amidyl radicals. Simple modifications of the amide lead to high levels of site selectivity in intermolecular C-H functionalizations across a range of simple and complex substrates. DFT calculations demonstrate that the steric demand of the reacting nitrogen-centered radical is heavily affected by the substitution pattern of the starting amide. Optimization of transition state structures consistently indicated higher reagent-dictated steric selectivities using more hindered amides, consistent with experimental results.