6297-45-6

Basic information

• Product Name: propan-2-yl 3-methylbenzoate
• CAS NO: 6297-45-6
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.2277
• Mol File: 6297-45-6.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 246.8°C at 760 mmHg
• Flash Point: 107.6°C
• Density: 1.006g/cm³
• Vapor Pressure: 0.0265mmHg at 25°C
• Refractive Index: 1.5
• CAS DataBase Reference: propan-2-yl 3-methylbenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: propan-2-yl 3-methylbenzoate(6297-45-6)
• EPA Substance Registry System: propan-2-yl 3-methylbenzoate(6297-45-6)

Safety Data

• Hazardous Substances Data: 6297-45-6(Hazardous Substances Data)

Upstream product

• 108-20-3 di-isopropyl ether 
• 1711-06-4 3-Methylbenzoyl chloride 
• 136125-68-3 methyl 3-methylphenylglyoxylate 
• 73318-83-9 2-oxo-2-(m-tolyl)acetaldehyde 
• 61560-94-9 3-methylphenyloxoacetic acid 
• 67-63-0 isopropyl alcohol 
• 99-04-7 m-Toluic acid 
• 1257345-67-7 isopropyl m-iodobenzoate 
• 74-88-4 methyl iodide 
• 333-27-7 methyl trifluoromethanesulfonate 
• 201230-82-2 carbon monoxide 
• 591-17-3 meta-bromotoluene 
• 546-68-9 titanium(IV)isopropoxide 
• 108-44-1 1-amino-3-methylbenzene 

Downstream Products

• 1392227-43-8 (E)-iso-propyl 2-(3-ethoxy-3-oxoprop-1-en-1-yl)-5-methybenzoate 
• 620-23-5 m-tolyl aldehyde 
• 53692-58-3 1-(3-methylphenyl)-3-phenylpropynone 

Relevant articles and documents

Efficient and practical approach to esters from acids/ 2-oxoacids/ 2-oxoaldehydes &/ 2-oxoesters

An efficient, mild, cost effective and practical method is presented for generation of esters (RCO2R′) from acids (RCO2H)/ 2-oxoacids (RCOCO2H)/ 2-oxoaldehydes (RCOCHO)/ 2-oxoesters (RCOCO2R″) and alcohols by using oxone as catalyst. In addition to deciphering the scope of our process, we propose a mechanism for esterification through a common intermediate IV. Reaction with 2-oxoacids and 2-oxoaldehydes proceed with initial CO-C cleavage followed by oxone mediated esterification with alcohols. In addition, reaction with 2-oxoesters proceeds through CO-CO bond cleavage and trans-esterification.

Rhenium complex-catalyzed acylative cleavage of ethers with acyl chlorides

It was found that rhenium complex was an efficient catalyst for the acylative cleavage of C-O bond of ethers with acyl chlorides. When acyclic ethers were allowed to react with acyl chlorides in the presence of a catalytic amount of ReBr(CO)5, acylative cleavage of C-O bond of acyclic ethers smoothly proceeded to give the corresponding esters in moderate to good yields. Similarly, cyclic ethers were acylative cleaved by acyl chlorides to give the corresponding chloro substituted esters in good yields by the use of Re 2O7 catalyst.

Reduction of Carboxylic Acid with 2-Propanol over Hydrous Zirconium Oxide

The vapor-phase reduction of carboxylic acids with 2-propanol was found to proceed efficiently over hydrous zirconium(IV) oxide, and the corresponding alcohols were obtained in high yield.Esters were also reduced.