95249-12-0

Usage

Explanation

This is the primary name used to identify the chemical.

Explanation

These are additional names that may be used to refer to the same chemical.

Explanation

The chemical is derived from acetophenone, which means it has a similar structure with some modifications.

Explanation

The chemical is used in the production of pharmaceuticals and as an intermediate compound in organic synthesis processes.

Explanation

The chemical appears as a white solid substance.

Explanation

The temperature range at which the chemical transitions from a solid to a liquid state.

Explanation

The chemical formula representing the number of carbon (C), hydrogen (H), nitrogen (N), and oxygen (O) atoms in the molecule.

Explanation

The chemical has potential uses in the pharmaceutical industry, particularly in the development and synthesis of various drugs and medicinal compounds.

Explanation

The chemical should be handled carefully due to potential safety hazards associated with its use or exposure.

Derivative

Acetophenone

Usage

Production of certain pharmaceuticals, intermediate in organic synthesis

Physical appearance

White solid

Melting point

96-98°C

Potential applications

Pharmaceutical industry, synthesis of drugs and medicines

Safety precautions

Handle with care, may pose certain safety hazards

Upstream product

• 10326-99-5 2-methyl-1-(4-nitrophenyl)propan-1-one 
• 49660-93-7 4'-bromoisobutyrophenone 

Downstream Products

• 1213470-81-5 C₁₀H₁₆N₂ 
• 136-60-7 benzoic acid, butyl ester 
• 159490-54-7 dimethyl 3-methyl-3-(4'-isobutyl)phenylpropanedioate 
• 172159-87-4 methyl 3-oxo-2-(4'-isobutyryl)phenylbutanoate 
• 159490-53-6 dimethyl 3-(4'-isobutyl)phenylpropanedioate 
• 159490-46-7 3-(4'-isobutyryl)phenylpentane-1,3-dione 
• 15687-27-1 ibuprofen 
• 159490-52-5 (4-isobutyryl)phenylazo tert-butyl sulfide 
• 79341-95-0 p-cyanpoisobutyrophenone 

Relevant academic research and scientific papers

Synthesis and methemoglobinemia-inducing properties of analogues of para-aminopropiophenone designed as humane rodenticides

A number of structural analogues of the known toxicant para- aminopropiophenone (PAPP) have been prepared and evaluated for their capacity to induce methemoglobinemia - with a view to their possible application as humane pest control agents. It was found that an optimal lipophilicity for the formation of methemoglobin (metHb) in vitro existed for alkyl analogues of PAPP (aminophenones 1-20; compound 6 metHb% = 74.1 ± 2). Besides lipophilicity, this structural sub-class suggested there were certain structural requirements for activity, with both branched (10-16) and cyclic (17-20) alkyl analogues exhibiting inferior in vitro metHb induction. Of the four candidates (compounds 4, 6, 13 and 23) evaluated in vivo, 4 exhibited the greatest toxicity. In parallel, aminophenone bioisosteres, including oximes 30-32, sulfoxide 33, sulfone 34 and sulfonamides 35-36, were found to be inferior metHb inducers to lead ketone 4. Closer examination of Hammett substituent constants suggests that a particular combination of the field and resonance parameters may be significant with respect to the redox mechanisms behind PAPPs metHb toxicity.

A comparative study on the photo-induced arylation of β-dicarbonyl compounds by arylazosulfides and its use in the synthesis of methyl labeled 2-arylpropionic acids

A comparative study on the arylation of β-dicarbonyl derivatives (acetylacetone, methyl acetoacetate and dimethyl malonate) by using the photo-induced decomposition of arylazosulfides is presented. The arylazosulfides used contained the aryl moieties related to Ketoprofen or Ibuprofen and the reaction was performed following the procedure reported by Dell'Erba et al. (Tetrahedron, 1991, 47, 333). From the arylazosulfides assayed, only those bearing a carbonyl group attached to the benzene ring, i.e. 1 and 11, afforded the corresponding arylation adducts in satisfactory yields. Concerning the β-dicarbonyl derivatives, condensation of acetylacetone in the case of 1 and of dimethyl malonate in that of 11 gave the best results. However, the further methylation of the aryl β-dicarbonyl adduct was clearly advantageous for the case of the 2-arylmalonate derivatives. The use of this synthetic strategy for the convenient preparation of Ketoprofen (23% overall yield, 7 steps from 3-nitrobenzophenone) and Ibuprofen (34% overall yield, 8 steps from 4-isobutyrylbenzene) isotopomers labeled at the methyl group at C-2 is also reported.

Reaction ofα- Halo Ketones with Nucleophiles

p-Nitro- or p-cyanophenacyl chloride or the 1,1-dimethyl derivatives react with the anion of 2-nitropropane to form the C-alkilation product by a radical chain mechanism (SRN1).With the 1,1-dimethyl derivatives, the free radical substitution is photostimulated and occurs in competition with ionic reactions leading to the oxiranes 5 and hydroxy ketones 6.When K+ is used as the counterion, the SRN1 process is favored by complexation with 18-crown-6. p-Nitro-1,1-dimethylphenacyl chloride gives substitution products with diethyl malonate or diethyl mthylmalonate anions via the SRN1 process, but with PhS- or p-MeC6H4SO2-, substitution occurs by competing ionic and radical processes.Propylacetylenide anion reacts to form the oxirane 13a while diethyl phosphite or thiophosphite anions yield the enol phosphate 14a or thiophosphate 14b. 1,1-Dimethylphenacyl chloride reacts by nonradical processes to give the oxirane with acetylenide anions, the substitution products with PhS- or p-MeC6H4SO2- and a mixture of the enol phosphate, and oxirane 16 with diethyl phosphite anion.With Me2C==NO2-K+, mainly the oxirane is formed in Me2SO but mainly substitution via the SRN1 chain is observed in HMPA.