2040-21-3

Basic information

• Product Name: 1-Propanone, 2-methyl-1-(2-methylphenyl)-
• CAS NO: 2040-21-3
• Molecular Formula: C11H14O
• Molecular Weight: 162.232
• Mol File: 2040-21-3.mol
• Article Data: 19

Chemical Properties

• CAS DataBase Reference: 1-Propanone, 2-methyl-1-(2-methylphenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Propanone, 2-methyl-1-(2-methylphenyl)-(2040-21-3)
• EPA Substance Registry System: 1-Propanone, 2-methyl-1-(2-methylphenyl)-(2040-21-3)

Safety Data

• Hazardous Substances Data: 2040-21-3(Hazardous Substances Data)

Usage

Chemical Class

Ketone

Physical State

Colorless, flammable liquid

Odor

Strong, sweet

Uses

Intermediate in the synthesis of pharmaceuticals and perfumes, solvent in industrial applications

Health Risks

Harmful if ingested or inhaled, should be minimized to prevent adverse health effects

Upstream product

• 118-90-1 ortho-methylbenzoic acid 
• 79-31-2 isobutyric Acid 
• 100994-03-4 1-o-methylphenyl-2-methylpropanol 
• 108-88-3 toluene 
• 529-19-1 2-Methylbenzonitrile 
• 78-82-0 Isobutyronitrile 
• 348-51-6 1-chloro-2-fluorobenzene 
• 33872-80-9 o-tolyl magnesium chloride 
• 95-46-5 2-methylphenyl bromide 
• 14478-14-9 1-acetyloxy-2-methylpropene 
• 67-56-1 methanol 
• 2040-14-4 2-methylpropiophenone 
• 75-24-1 trimethylaluminum 
• 611-70-1 phenyl isopropyl ketone 

Downstream Products

• 155225-09-5 3-Hydroxy-2,2-dimethyl-1-o-tolyl-butan-1-one 
• 155225-08-4 3-Hydroxy-2,2-dimethyl-1-o-tolyl-pentan-1-one 
• 116971-61-0 2,2-dimethyl-1-(o-methylphenyl)butane-1,3-dione 
• 134298-55-8 2,2-dimethyl-1-(o-methylphenyl)pentane-1,3-dione 
• 134298-56-9 2,2-dimethyl-1-(o-methylphenyl)hexane-1,3-dione 
• 134298-57-0 2,2,4-trimethyl-1-(o-methylphenyl)hexane-1,3-dione 
• 134298-58-1 4-ethyl-2,2-dimethyl-1-(o-methylphenyl)hexane-1,3-dione 
• 134298-73-0 3-cyclohexyl-3-hydroxy-2,2-dimethyl-3,4-dihydronaphthalen-1(2H)-one 
• 134298-59-2 1-cyclohexyl-2,2-dimethyl-3-(o-methylphenyl)propane-1,3-dione 
• 134298-67-2 1-cyclohexyl-2-(1'-hydroxy-1',2'-dihydrobenzocyclobuten-1'-yl)-2-methylpropan-1-one 
• 54090-91-4 N-(2-methylbenzoyl)-S-methyl-S-phenyl sulfoximine 
• 100994-03-4 1-o-methylphenyl-2-methylpropanol 
• 1583276-61-2 (E)-2,2-dimethyl-5-phenyl-1-(o-tolyl)pent-4-en-1-one 
• 1583276-22-5 2-benzyl-4,4-dimethyl-3,4-dihydro-2H-pyrrole 1-oxide 

Relevant articles and documents

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Palladium-Catalyzed Synthesis of α-Methyl Ketones from Allylic Alcohols and Methanol

One-pot synthesis of α-methyl ketones starting from 1,3-diaryl propenols or 1-aryl propenols and methanol as a C1 source is demonstrated. This one-pot isomerization-methylation is catalyzed by commercially available Pd(OAc)2 with H2O as the only by-product. Mechanistic studies and deuterium labelling experiments indicate the involvement of isomerization of allyl alcohol followed by methylation through a hydrogen-borrowing pathway in these isomerization-methylation reactions.

Manganese catalyzed α-methylation of ketones with methanol as a C1 source

The direct α-methylation of ketones with methanol under hydrogen borrowing conditions using a well-defined manganese PN3P complex as a pre-catalyst was, for the first time, achieved. The reactions typically proceed at 120 °C for 20 h with 3 mol% pre-catalyst loading and in the presence of NaOtBu (50 mol%) as base. The scope of the reaction was extended to the α-methylation of esters.

Iron-Catalyzed Methylation Using the Borrowing Hydrogen Approach

A general iron-catalyzed methylation has been developed using methanol as a C1 building block. This borrowing hydrogen approach employs a Kn?lker-type (cyclopentadienone)iron carbonyl complex as catalyst (2 mol %) and exhibits a broad reaction scope. A variety of ketones, indoles, oxindoles, amines, and sulfonamides undergo mono- or dimethylation in excellent isolated yields (>60 examples, 79% average yield).