1596118-90-9

Basic information

• Product Name: 4-trichloroacetyl-1-(2,6-difluorobenzyl)-5-methyl-1H-1,2,3-triazole
• Synonyms: 4-trichloroacetyl-1-(2,6-difluorobenzyl)-5-methyl-1H-1,2,3-triazole
• CAS NO: 1596118-90-9
• Molecular Weight: 354.571
• Mol File: 1596118-90-9.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 4-trichloroacetyl-1-(2,6-difluorobenzyl)-5-methyl-1H-1,2,3-triazole(CAS DataBase Reference)
• NIST Chemistry Reference: 4-trichloroacetyl-1-(2,6-difluorobenzyl)-5-methyl-1H-1,2,3-triazole(1596118-90-9)
• EPA Substance Registry System: 4-trichloroacetyl-1-(2,6-difluorobenzyl)-5-methyl-1H-1,2,3-triazole(1596118-90-9)

Safety Data

• Hazardous Substances Data: 1596118-90-9(Hazardous Substances Data)

Upstream product

• 106308-60-5 2-(azidomethyl)-1,3-difluorobenzene 
• 697-73-4 2,6-difluorobenzyl chloride 
• 135351-18-7 1,1,1-trichloro-4-methoxy-3-penten-2-one 

Downstream Products

• 1596118-96-5 2-(1-(2,6-difluorobenzyl)-5-methyl-1H-1,2,3-triazolo-4-yl)-1,1,1-trichloropent-4-en-2-ol 

Relevant articles and documents

New solventless and metal-free synthesis of the antiepileptic drug 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide (Rufinamide) and analogues

This work presents a new synthesis of the antiepileptic drug rufinamide - 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide) in chemical form - and some analogue compounds, through a one-pot reaction employing a solventless, metal-free catalysis and without any reducing reagent. The great novelty presented is the synthesis of 4-trichloroacetyl-1-(2,6-difluorobenzyl/benzyl/4-methoxybenzyl)-5-methyl(phenyl)-1H-1,2,3-triazoles as new precursors from a regioselective 1,3-dipolar cycloaddition reaction between 1,1,1-trichloro-4-alkoxyalk-3-en-2-ones and some benzyl azides, which are converted into rufinamide and the analogues by an addition-elimination reaction with an aqueous solution of NH4OH in good yields (42-52%).