4160-52-5

Basic information

• Product Name: 4-METHYLBUTYROPHENONE
• Synonyms: 1-Butanone, 1-(4-methylphenyl)-;Butyrophenone, 4'-methyl-;4-METHYLBUTYROPHENONE;P-METHYLBUTYROPHENONE;4-Butyryltoluene;4-Methylbutyrophenone,97%;1-(4-methylphenyl)butan-1-one;1-(4-Methylphenyl)-1-butanone
• CAS NO: 4160-52-5
• Molecular Formula: C₁₁H₁₄O
• Molecular Weight: 162.23
• EINECS: 223-996-0
• Mol File: 4160-52-5.mol
• Article Data: 33

Chemical Properties

• Melting Point: 12℃
• Boiling Point: 252℃ (739 Torr)
• Flash Point: 110.1±8.8℃
• Appearance: /
• Density: 0.952±0.06 g/cm3 (20 ºC 760 Torr)
• Refractive Index: 1.5232 (589.3 nm 20℃)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform (Slightly), DMSO (Slightly)
• CAS DataBase Reference: 4-METHYLBUTYROPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYLBUTYROPHENONE(4160-52-5)
• EPA Substance Registry System: 4-METHYLBUTYROPHENONE(4160-52-5)

Safety Data

• Safety Statements: S24/25:Avoid contact with skin and eyes.
• Hazardous Substances Data: 4160-52-5(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 4160-52-5 differently. You can refer to the following data:
1. 4'-Methylbutyrophenone is an aryl alkyl ketone used in the quenching of chemically excited acetone phosphorescence.
2. 4''-Methylbutyrophenone is an aryl alkyl ketone used in the quenching of chemically excited acetone phosphorescence.

InChI:InChI=1/C11H7BrCl2N4O/c12-10-9(5-16-18-11(10)19)17-15-4-6-1-2-7(13)3-8(6)14/h1-5H,(H2,17,18,19)

Upstream product

• 10557-57-0 propylmagnesium iodide 
• 104-85-8 para-methylbenzonitrile 
• 99-94-5 p-Toluic acid 
• 107-92-6 butyric acid 
• 106-31-0 butanoic acid anhydride 
• 108-88-3 toluene 
• 624-31-7 4-tolyl iodide 
• 1821-02-9 2-oxopentanoic acid 
• 109-74-0 propyl cyanide 
• 5720-05-8 4-methylphenylboronic acid 
• 109480-78-6 N-methoxy-N-methylbutanamide 
• 4294-57-9 para-methylphenylmagnesium bromide 
• 104-87-0 4-methyl-benzaldehyde 
• 72824-04-5 2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 

Downstream Products

• 859080-85-6 1-p-tolyl-butane-1,2-dione-2-oxime 
• 100121-59-3 2-p-toluoyl-butyraldehyde 
• 6282-37-7 1-(4-methylphenyl)butanol 
• 51089-96-4 1-p-Tolyl-1-butylamin 
• 4521-22-6 4-(4-methylphenyl)butyric acid 
• 1595-05-7 p-butyltoluene 
• 864267-47-0 C₁₁H₁₃BrO 
• 894413-37-7 C₂₀H₂₇NO₆ 
• 894413-38-8 C₂₀H₂₆BrNO₆ 
• 1037600-89-7 C₂₀H₂₇NO₇ 
• 894413-39-9 C₂₀H₂₅NO₇ 
• 4521-23-7 tolbutamide 
• 69126-28-9 1-(4-methyl-3-nitrophenyl)-1-butanone 

Relevant articles and documents

Rh-Catalyzed Coupling of Aldehydes with Allylboronates Enables Facile Access to Ketones

We present herein a novel strategy for the preparation of ketones from aldehydes and allylic boronic esters. This reaction involves the allylation of aldehydes with allylic boronic esters and the Rh-catalyzed chain-walking of homoallylic alcohols. The key to this successful development is the protodeboronation of alkenyl borylether intermediate via a tetravalent borate anion species in the presence of KHF2 and MeOH. This approach features mild reaction conditions, broad substrate scope, and excellent functional group tolerance. Mechanistic studies also supported that the tandem allylation and chain-walking process were involved.

Facile preparation of 5-alkyl-1-aryltetrazoles with arenes, acyl chlorides, hydroxylamine, and diphenylphosphoryl azide

Successive treatment of arenes with acyl chlorides and AlCl3, the addition of water and removal of solvent, the reaction with NH2OH?HCl and K2CO3, and the reaction with diphenylphosphoryl azide and DBU under warming conditions gave the corresponding 5-alkyl-1-aryltetrazoles efficiently in good to moderate yields. The present method is one-pot transformation of arenes into 5-alkyl-1-aryltetrazoles using the Friedel-Crafts acylation and the Beckmann rearrangement under transition-metal-free conditions.

Manganese PNP-pincer catalyzed isomerization of allylic/homo-allylic alcohols to ketones-activity, selectivity, efficiency

We report the first manganese catalyzed isomerization of allylic alcohols to produce the corresponding carbonyl compounds. The ligand plays a decisive role in the efficiency of this reaction. Very high conversions could be obtained using a solvent-free reaction system. A detailed DFT study reveals a self-dehydrogenation/hydrogenation reaction mechanism which was verified by the isolation of the α,β-unsaturated ketone as intermediate and a deuterium labeling experiment. It also provided a rationale for the observed selectivity and the higher efficiency of phenyl over isopropyl substitution.