112979-31-4

Basic information

• Product Name: 2-Buten-1-one, 1-(6-hydroxy-1,3-benzodioxol-5-yl)-3-methyl-
• CAS NO: 112979-31-4
• Molecular Formula: C12H12O4
• Molecular Weight: 220.225
• Mol File: 112979-31-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2-Buten-1-one, 1-(6-hydroxy-1,3-benzodioxol-5-yl)-3-methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Buten-1-one, 1-(6-hydroxy-1,3-benzodioxol-5-yl)-3-methyl-(112979-31-4)
• EPA Substance Registry System: 2-Buten-1-one, 1-(6-hydroxy-1,3-benzodioxol-5-yl)-3-methyl-(112979-31-4)

Safety Data

• Hazardous Substances Data: 112979-31-4(Hazardous Substances Data)

Upstream product

• 112979-30-3 3,4-dioxymethylene phenyl 3-methyl-2-butenoate 

Downstream Products

• 65383-62-2 7-ethoxy-6-methoxy-2,2-dimethyl-4-chromanone 
• 65383-73-5 6-methoxy-7-ethoxy-2,2-dimethyl-2H-chromene 
• 644-06-4 precocene II 
• 65383-61-1 6,7-dimethoxy-2,2-dimethyl-4-chromanone 

Relevant articles and documents

Formation of 2,2-dimethylchroman-4-ones during the photoinduced rearrangement of some aryl 3-methyl-2-butenoate esters. A mechanistic insight

Several aryl 3-methyl-2-butenoate esters upon irradiation lead to the formation of [1,3]-migrated photoproducts, phenol and, surprisingly 2,2-dimethylchroman-4-one derivatives. The starting photochemical reaction takes place from the singlet excited state of the ester and as a total mechanism two consecutive reaction pathways are proposed. The former involves the photo-Fries rearrangement of the esters in all the solvents studied and, depending on the proticity of the solvent, the latter involves an ESIPT process followed by thermal 6π-electrocyclic reaction and/or thermal (intramolecular oxa-Michael addition) cyclization of the ortho regioisomers photoformed. This second pathway is responsible of the formation of the 2,2-dimethylchroman-4-one derivatives.