77815-20-4

Basic information

• Product Name: 2,4-Cyclohexadien-1-one, 4,6-dimethyl-6-nitro-
• CAS NO: 77815-20-4
• Molecular Formula: C8H9NO3
• Molecular Weight: 167.164
• Mol File: 77815-20-4.mol

Chemical Properties

• CAS DataBase Reference: 2,4-Cyclohexadien-1-one, 4,6-dimethyl-6-nitro-(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-Cyclohexadien-1-one, 4,6-dimethyl-6-nitro-(77815-20-4)
• EPA Substance Registry System: 2,4-Cyclohexadien-1-one, 4,6-dimethyl-6-nitro-(77815-20-4)

Safety Data

• Hazardous Substances Data: 77815-20-4(Hazardous Substances Data)

Upstream product

• 105-67-9 2,4-Xylenol 

Downstream Products

• 14452-34-7 2,4-dimethyl-6-nitrophenol 
• 77815-19-1 2,4-dimethyl-4-nitrocyclohexa-2,5-dienone 

Relevant articles and documents

FORMATION OF DIENONES ON THE REACTION OF CRESOLS, XYLENOLS, AND 2-NAPHTHOL WITH NITROGEN DIOXIDE: OBSERVATION OF KETO TAUTOMERS OF NITROPHENOLS

Reaction of o- and p-cresol, the xylenols, and 2-naphthol with nitrogen dioxide gives nitrocyclohexadienones and nitrophenols.Secondary nitrodienones, the keto tautomers of the nitrophenols, have been observed in several cases and are intermediates in the formation of the nitrophenols.

ipso Nitration. XXIV. Nitration of 2-methylphenols. Formation and rearrangement of 6-methyl-6-nitrocyclohexa-2,4-dienones

Nitration of o-cresol and some mono-, di-, and trimethyl derivatives in acetic anhydride at -60 deg C gives 6-methyl-6-nitrocyclohexa-2,4-dienones.The dienones are more labile than the isomeric 4-methyl-4-nitrocyclohexa-2,5-dienones and, if the 2-position of the dienone is not blocked, undergo regiospecific rearrangement to 6-nitro-o-cresols. 2,3,6-Trimethyl- and 2,3,5,6-tetramethylphenol also give a 2,5-dienone with nitro attached to a secondary carbon.