64248-54-0

Basic information

• Product Name: 2,4-Cyclohexadien-1-one, 6-(acetyloxy)-6-(1-methylethyl)-
• CAS NO: 64248-54-0
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Mol File: 64248-54-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2,4-Cyclohexadien-1-one, 6-(acetyloxy)-6-(1-methylethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-Cyclohexadien-1-one, 6-(acetyloxy)-6-(1-methylethyl)-(64248-54-0)
• EPA Substance Registry System: 2,4-Cyclohexadien-1-one, 6-(acetyloxy)-6-(1-methylethyl)-(64248-54-0)

Safety Data

• Hazardous Substances Data: 64248-54-0(Hazardous Substances Data)

Upstream product

• 88-69-7 2-(1-methylethyl)phenol 
• 64-19-7 acetic acid 

Downstream Products

• 621-37-4 m-hydroxyphenylacetic acid 
• 91970-76-2 3-hydroxy-4-isopropylphenylacetic acid 
• 63905-63-5 2-Isopropyl-5-phenyl-phenol 

Relevant articles and documents

Oxidation of o-isopropylphenol with lead tetraacetate: Synthesis of the unit of celastroidin terpenes by the Diels-Alder condensation

Lead tetraacetate oxidation of o-isopropyl phenol under various conditions led to the dienone acetate which, when dimerized, represents a central part of the celastroidin penta- and hexa-terpenes (natural products from the Mexican shrub Hippocratea Celastroides). Six oxidation products formed in this reaction (the iso-propyl dienolone acetate, two dimers, benzoquinone, and two phenol acetates) were identified with help of 2D and 3D NMR, GC and LC-MS. From this, we concluded that the dimer skeleton observed for the dienolone acetate in natural products corresponded to the product from the photochemical pathway, and that the synthetic dimer has the opposite geometry; this was verified by molecular modelling. The oxidation of the second compound, o-cresol, leads to a similar profile of products.