64321-35-3

Basic information

• Product Name: 4-(1,1-Dimethylethyl)phenylmethyl ketone
• Synonyms: 4-(1,1-Dimethylethyl)phenylmethyl ketone
• CAS NO: 64321-35-3
• Molecular Weight: 322.491
• Mol File: 64321-35-3.mol
• Article Data: 17

Chemical Properties

• CAS DataBase Reference: 4-(1,1-Dimethylethyl)phenylmethyl ketone(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(1,1-Dimethylethyl)phenylmethyl ketone(64321-35-3)
• EPA Substance Registry System: 4-(1,1-Dimethylethyl)phenylmethyl ketone(64321-35-3)

Safety Data

• Hazardous Substances Data: 64321-35-3(Hazardous Substances Data)

Usage

General Description

4-(1,1-Dimethylethyl)phenylmethyl ketone, also known as tButylbenzylketone, is an organic compound with the chemical formula C12H16O. It is a colorless to pale yellow liquid with a strong, sweet, floral odor. This chemical is commonly used as a fragrance ingredient in perfumes and other personal care products. It is also used as a flavoring agent in the food industry. Additionally, tButylbenzylketone is employed as an intermediate in the synthesis of pharmaceuticals and other organic compounds. It is important to handle this chemical with caution, as it can cause irritation to the skin, eyes, and respiratory system, and may be harmful if swallowed or inhaled in large quantities.

Upstream product

• 32857-63-9 4-t-butylphenylacetic acid 
• 253185-03-4 tert-butylbenzene 
• 75-36-5 acetyl chloride 
• 3549-23-3 methyl 2-(4-tert-butylphenyl)acetate 
• 3288-99-1 4-tert-butylbenzyl cyanide 
• 38622-91-2 [(p-methylphenyl)sulfonylmethyl]isonitrile 
• 18880-00-7 1-(bromomethyl)-4-(1,1-dimethylethyl)benzene 
• 52629-45-5 4-(1,1-dimethylethyl)phenylacetyl chloride 
• 100-44-7 benzyl chloride 

Downstream Products

• 28480-27-5 cyclopropenon 
• 1386995-40-9 (Z)-3-(4-(tert-butyl)phenyl)-2-((4-(tert-butyl)phenyl)(3-(4-(tertbutyl)phenyl)-4,5-diphenyl-2H-pyrrol-2-ylidene)methyl)-4,5-diphenyl-1H-pyrrole 

Relevant articles and documents

Hairpin Furans and Giant Biaryls

The thermal reaction of two cyclopentadienones with 5,5′-binaphthoquinone or 6,6′-dimethoxy-5,5′-binaphthoquinone in refluxing nitrobenzene (210 °C) gives, in a single synthetic step that includes two Diels-Alder additions, two decarbonylations, and two d

Tetraaryl Cyclopentadienones: Experimental and Theoretical Insights into Negative Solvatochromism and Electrochemistry

The synthesis of a series of tetraaryl cyclopentadienones comprising different substitution patterns is reported. Their photophysical and electrochemical properties are investigated by UV/Vis spectroscopy and cyclic voltammetry as well as by supporting quantum chemical simulations and reveal a distinct effect of substituents on the redox behavior of the molecules as well as the absorption properties of this class of compounds. While electrochemical data display a shift in reduction potential of up to 200 mV between the differently substituted cyclopentadienones, their photophysical investigations in differently polar solvents suggest a negative solvatochromic effect, although protic solvents induce a bathochromic shift. Crystal structure analyses of some derivatives confirm similarity with related cyclopentadienones while providing insight into intermolecular C–H···O and C–H···π interactions in the solid state.

Organocatalytic Regiodivergent C?C Bond Cleavage of Cyclopropenones: A Highly Efficient Cascade Approach to Enantiopure Heterocyclic Frameworks

Here a highly efficient cascade approach is reported that combines a cycloaddition reaction with a regioselective strain-release process to afford diverse heterocyclic frameworks through bifunctional catalysis. The cooperation of hydrogen-bonding network activation and a regiodivergent strain-assisted effect is the key to promoting this complex chemical transformation, leading to the generation of two different ring systems in high yields with excellent stereoselectivities. The reaction proceeded by a mechanism involving a “spring-loaded” intermediate with switchable C?C bond cleavages achieved by controllable ring-strain release. This reaction was also amenable to gram scale synthesis with only 0.1 mol % catalyst loading.