53207-58-2

Basic information

• Product Name: P-(METHYLTHIO)ISOBUTYROPHENONE
• Synonyms: 4-ISOBUTYRO THIOANISOLE;4'METHYLTHIOISOBUTYROPHENONE;P-(METHYLTHIO)ISOBUTYROPHENONE;p-Methylthiophenyl isopropyl ketone;2-Methyl-1-(4-methylsulfanyl-phenyl)-propan-1-one
• CAS NO: 53207-58-2
• Molecular Formula: C₁₁H₁₄OS
• Molecular Weight: 194.29
• Mol File: 53207-58-2.mol
• Article Data: 20

Chemical Properties

• Melting Point: 45-49 °C(lit.)
• Boiling Point: 305.8 °C at 760 mmHg
• Flash Point: 210 °F
• Appearance: /
• Density: 1.05g/cm³
• Vapor Pressure: 0.000805mmHg at 25°C
• Refractive Index: 1.544
• CAS DataBase Reference: P-(METHYLTHIO)ISOBUTYROPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: P-(METHYLTHIO)ISOBUTYROPHENONE(53207-58-2)
• EPA Substance Registry System: P-(METHYLTHIO)ISOBUTYROPHENONE(53207-58-2)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 53207-58-2(Hazardous Substances Data)

Usage

General Description

P-(methylthio)isobutyrophenone is a chemical compound that is commonly used as a fragrance ingredient in the production of perfumes and other aromatic products. It is a white, crystalline solid with a floral, fruity odor and is often found in various personal care and household products. This chemical is also known for its antimicrobial properties and is used in some disinfectant and antimicrobial products. Additionally, it can be found in some food and beverage products as a flavoring agent. Overall, P-(methylthio)isobutyrophenone has a variety of applications and is recognized for its pleasant, fruity scent and antimicrobial properties.

InChI:InChI=1/C11H14OS/c1-8(2)11(12)9-4-6-10(13-3)7-5-9/h4-8H,1-3H3

Upstream product

• 100-68-5 methyl-phenyl-thioether 
• 79-30-1 isobutyryl chloride 
• 557-93-7 2-bromoprop-1-ene 
• 3446-89-7 4-(Methylthio)benzaldehyde 
• 97-72-3 2-Methylpropionic anhydride 

Downstream Products

• 71867-98-6 2-hydroxy-2-methyl-1-(4-(methylthio)phenyl)-propan-1-one 
• 334685-96-0 1-methoxy-2-methyl-1-(4'-methylthiophenyl)prop-1-ene 
• 189955-79-1 2-bromo-2-methyl-1-[4-(methylsulfonyl)phenyl]propan-1-one 
• 71868-10-5 2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one 
• 91359-00-1 1-[4-(4-Isobutyryl-phenyldisulfanyl)-phenyl]-2-methyl-propan-1-one 
• 106701-22-8 2-Chloro-N-(2-methoxy-ethyl)-N-[2-methyl-1-(4-methylsulfanyl-phenyl)-propenyl]-acetamide 
• 189955-80-4 cyclohexyloxy-acetic acid 2-(4-methanesulfonyl-phenyl)-1,1-dimethyl-2-oxo-ethyl ester 
• 246869-09-0 cyclopentyloxy-acetic acid 2-(4-methanesulfonyl-phenyl)-1,1-dimethyl-2-oxo-ethyl ester 
• 190966-56-4 (1-cyclopropyl-ethoxy)-acetic acid 2-(4-methanesulfonyl-phenyl)-1,1-dimethyl-2-oxo-ethyl ester 
• 246869-15-8 2-cyclopropylmethoxyacetic acid [1,1-dimethyl-2-(4-methanesulfonylphenyl)-2-oxoethyl]ester 
• 246869-10-3 cyclobutoxy-acetic acid 2-(4-methanesulfonyl-phenyl)-1,1-dimethyl-2-oxo-ethyl ester 
• 189955-92-8 (1-ethyl-propoxy)-acetic acid 2-(4-methanesulfonyl-phenyl)-1,1-dimethyl-2-oxo-ethyl ester 
• 189954-96-9 3-(Cyclopropylmethoxy)-5.5-dimethyl-4-(4-(methylsulfonyl)phenyl)-5H-furan-2-one 
• 246869-11-4 cyclopropoxy-acetic acid 2-(4-methanesulfonyl-phenyl)-1,1-dimethyl-2-oxo-ethyl ester 

Relevant articles and documents

Conversion of Aldehydes to Branched or Linear Ketones via Regiodivergent Rhodium-Catalyzed Vinyl Bromide Reductive Coupling-Redox Isomerization Mediated by Formate

A regiodivergent catalytic method for direct conversion of aldehydes to branched or linear alkyl ketones is described. Rhodium complexes modified by PtBu2Me catalyze formate-mediated aldehyde-vinyl bromide reductive coupling-redox isomerization to form branched ketones. Use of the less strongly coordinating ligand, PPh3, promotes vinyl-to allylrhodium isomerization en route to linear ketones. This method bypasses the 3-step sequence often used to convert aldehydes to ketones involving the addition of pre-metalated reagents to Weinreb or morpholine amides.

A PROCESS FOR THE PREPARATION OF FIROCOXIB

The present invention provides an improved process for preparation of Firocoxib of Formula I. Further, the present invention relates to novel process for the preparation of crystalline polymorphic form B of Firocoxib of Formula I.

NEW PROCESS FOR THE SYNTHESIS OF FIROCOXIB

The present invention concerns a process for the preparation of firocoxib, i.e. 3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-furan-2-one, comprising steps (a)-(g), wherein the process provides for step (d) of the reaction of a new intermediate, i.e. 2-methyl-1-[4-(methylsulfanyl)phenyl]-1-oxopropan-2-yl (acetyloxy)acetate (compound VII) in the same organic solvent of step (a) in the presence of a catalyst and a phase transfer catalyst solution in the same organic solvent with hydrogen peroxide.