2893-05-2

Basic information

• Product Name: 3-METHYL-1-PHENYL-2-BUTANONE
• Synonyms: BENZYL ISOPROPYL KETONE;1-PHENYL-3-METHYL-2-BUTANONE;3-METHYL-1-PHENYL-2-BUTANONE;3-methyl-1-phenylbutan-2-one;Benzyl #niso-propyl ketone;1-Phenyl-3-methylbutane-2-one
• CAS NO: 2893-05-2
• Molecular Formula: C₁₁H₁₄O
• Molecular Weight: 162.23
• EINECS: 220-765-6
• Mol File: 2893-05-2.mol
• Article Data: 33

Chemical Properties

• Boiling Point: 237-240°C
• Flash Point: 237-240°C
• Appearance: /
• Density: 0,968 g/cm3
• Vapor Pressure: 0.0459mmHg at 25°C
• Refractive Index: 1.5040
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility: Not miscible in water.
• BRN: 2042880
• CAS DataBase Reference: 3-METHYL-1-PHENYL-2-BUTANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYL-1-PHENYL-2-BUTANONE(2893-05-2)
• EPA Substance Registry System: 3-METHYL-1-PHENYL-2-BUTANONE(2893-05-2)

Safety Data

• Safety Statements: 24/25
• Hazardous Substances Data: 2893-05-2(Hazardous Substances Data)

Usage

Uses

3-Methyl-1-phenyl-2-butanone is used as pharmaceutical intermediate.

InChI:InChI=1/C11H14O/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

Upstream product

• 103-82-2 phenylacetic acid 
• 79-31-2 isobutyric Acid 
• 15325-61-8 (E)-(3-methylbut-1-en-1-yl)benzene 
• 78-82-0 Isobutyronitrile 
• 507-20-0 tertiary butyl chloride 
• 108-88-3 toluene 
• 1068-55-9 isopropylmagnesium chloride 
• 101-41-7 benzeneacetic acid methyl ester 
• 1888-75-1 isopropyllithium 
• 101-97-3 Ethyl 2-phenylethanoate 
• 920-39-8 isopropylmagnesium bromide 
• 60-29-7 diethyl ether 
• 79-30-1 isobutyryl chloride 
• 705-58-8 3-methyl-1-phenyl-2-butanol 

Downstream Products

• 84952-61-4 methyl(2-methyl-1-benzylpropyl)amine 
• 61434-24-0 1,3-Dichlor-3-methyl-1-phenyl butan-2-on 
• 61434-17-1 1,1-Dimethyl-2-oxo-3-phenylpropansulfinylchlorid 
• 29443-17-2 3-Bromo-1-phenyl-3-methyl-butanon 
• 63674-19-1 (R)-3-Methyl-1-phenyl-2-butanol 
• 137224-95-4 Selenophosphoric acid Se-(3-methyl-2-oxo-1-phenyl-butyl) ester O,O'-diphenyl ester 
• 76639-13-9 2,6-Dimethyl-4'-(3-methyl-2-oxo-1-phenyl-butyl)-4'H-[1,1']bipyridinyl-4-one 
• 563-83-7 ISOPROPYLAMIDE 
• 77989-12-9 3-phenyl-4-isopropyl-1,2,5-thiadiazole 
• 131003-67-3 3-Methyl-1-phenyl-butane-1,2-dione 1-oxime 
• 100066-45-3 Acetic acid 2-methyl-1-[1-phenyl-meth-(E)-ylidene]-propyl ester 
• 100032-39-1 Acetic acid 2-methyl-1-[1-phenyl-meth-(Z)-ylidene]-propyl ester 
• 67516-83-0 4-Methyl-2-phenylpent-1-en-3-one 
• 100-52-7 benzaldehyde 

Relevant articles and documents

Asymmetric Catalytic Epoxidation of Terminal Enones for the Synthesis of Triazole Antifungal Agents

An enantioselective epoxidation of α-substituted vinyl ketones was realized to construct the key epoxide intermediates for the synthesis of various triazole antifungal agents. The reaction proceeded efficiently in high yields with good enantioselectivities by employing a chiral N,N′-dioxide/ScIII complex as the chiral catalyst and 35% aq. H2O2 as the oxidant. It enabled the facile transformation for optically active isavuconazole, efinaconazole, and other potential antifungal agents.

Synthesis of α-Borylated Ketones by Regioselective Wacker Oxidation of Alkenylboronates

As part of a program aimed at metal-catalyzed oxidative transformations of molecules with carbon-metalloid bonds, the synthesis of α-borylated ketones is reported via regioselective TBHP-mediated Wacker-type oxidation of N-methyliminodiacetic acid (MIDA)-protected alkenylboronates. The observed regioselectivity correlates with the hemilabile nature of the B-N dative bond in the MIDA boronate functional group, which allows boron to guide selectivity through a neighboring group effect.

β-Keto esters derived from 2-(trimethylsilyl)ethanol: An orthogonal protective group for β-keto esters

β-Keto esters derived from 2-(trimethylsilyl)ethanol undergo cleavage and decarboxylation when treated with 0.75 equivalents of tetrabutylammonium fluoride trihydrate in tetrahydrofuran at 50°C, while β-keto esters derived from methanol, tert-butyl alcohol, allyl alcohol, or benzyl alcohol stay intact. Conversely, methyl-, tert-butyl-, allyl-, or benzyl β-keto esters can be cleaved and decarboxylated without the 2-(trimethylsilyl)ethyl β-keto esters being affected. Similarly, mixed bis(β-keto esters) derived from 2-(trimethylsilyl)ethanol and methanol, tert-butyl alcohol, allyl alcohol, or benzyl alcohol can be defunctionalized chemoselectively under the same reaction conditions. Georg Thieme Verlag Stuttgart.