1064679-33-9

Basic information

• Product Name: 4-(trifluoromethyl)-2,4,6-trimethylcyclohexa-2,5-dienone
• CAS NO: 1064679-33-9
• Molecular Weight: 204.192
• Mol File: 1064679-33-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 4-(trifluoromethyl)-2,4,6-trimethylcyclohexa-2,5-dienone(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(trifluoromethyl)-2,4,6-trimethylcyclohexa-2,5-dienone(1064679-33-9)
• EPA Substance Registry System: 4-(trifluoromethyl)-2,4,6-trimethylcyclohexa-2,5-dienone(1064679-33-9)

Safety Data

• Hazardous Substances Data: 1064679-33-9(Hazardous Substances Data)

Upstream product

• 887144-94-7 Togni's reagent II 
• 51114-00-2 sodium 2,4,6-trimethylphenoxide 

Relevant articles and documents

Reactivity of a 10-I-3 hypervalent iodine trifluoromethylation reagent with phenols

(Chemical Equation Presented) The reaction of the 10-I-3 hypervalent iodine electrophilic trifluoromethylation reagent 1-trifluoromethyl-1,2-benziodoxol-3- (1H)-one (2) with 2,4,6-trimethylphenol, after deprotonation with NaH and in the presence of 18-crown-6 in a polar, nonprotic solvent, affords 1,3,5-trimethyl-2-(trifluoromethoxy)benzene (4) only as a byproduct. Trifluoromethylation occurs preferentially at the ortho- and para-positions of the aromatic core, giving the corresponding trifluoromethylcyclohexadienones 5 and 6. In case the ortho-and/or para-positions are not substituted, the corresponding products of an aromatic, electrophilic substitution are obtained in moderate yield, for example, 2-trifluoromethyl-4-tert-butylphenol (10a) from 4-tert-butylphenol (10).