1616667-63-0

Basic information

• Product Name: C₂₅H₂₂BrN₅O₃
• Synonyms: C₂₅H₂₂BrN₅O₃
• CAS NO: 1616667-63-0
• Molecular Weight: 520.385
• Mol File: 1616667-63-0.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: C₂₅H₂₂BrN₅O₃(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₅H₂₂BrN₅O₃(1616667-63-0)
• EPA Substance Registry System: C₂₅H₂₂BrN₅O₃(1616667-63-0)

Safety Data

• Hazardous Substances Data: 1616667-63-0(Hazardous Substances Data)

Upstream product

• 1039021-95-8 4-(5-bromo-2-chloro-pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile 
• 24424-99-5 di-tert-butyl dicarbonate 
• 873-74-5 4-Aminobenzonitrile 
• 269055-04-1 4-[[5-bromo-4-(4-cyano-2,6-dimethylphenoxy)-2-pyrimidinyl]-amino]benzonitrile 
• 4198-90-7 3,5-dimethyl-4-hydroxybenzonitrile 

Downstream Products

• 269055-15-4 etravirine 

Relevant articles and documents

C-H FLUORINATION OF HETEROCYCLES WITH SILVER (II) FLUORIDE

The present invention provides compositions and methods for the selective C-H fluorination of nitrogen-containing heteroarenes with AgF2, which has previously been considered too reactive for practical, selective C-H fluorination. Fluorinated heteroarenes are prevalent in numerous pharmaceuticals, agrochemicals and materials. However, the reactions used to introduce fluorine into these molecules require pre-functionalized substrates or the use of F2 gas. The present invention provides a mild and general method for the C-H fluorination of nitrogen-containing heteroarene compounds to 2-fluoro-heteroarenes with commercially available AgF2. In various embodiments, these reactions occur at ambient temperature within one hour and occur with exclusive selectivity for fluorination at the 2-position. Exemplary reaction conditions are effective for fluorinating diazine heteroarenes to form a single fluorinated isomer.