221615-75-4

Basic information

• Product Name: 2-(4-MESYLPHENYL)-1-(6-METHYLPYRIDIN-3-YL)- ETHAN-1-ONE
• Synonyms: 2-(4-MESYLPHENYL)-1-(6-METHYLPYRIDIN-3-YL)- ETHAN-1-ONE;1-(6-Methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone;1-(6 –Methyl- pyridine-3-yl)-2-[(4-Methylsulphonyl) ethanone];1-(6-Methyl-3-pyridinyl)-2-[4-(Methylsulfonyl)phenyl]-ethanone;1-(6-Methyl-3-pyridyl)-2-(4-(Methylsulfonyl)-phenyl)ethanone;2-(4-Methanesulfonyl-phenyl)-1-(6-methyl-pyridin-3-yl)-ethanone;(Ethanone,1-(6-Methyl-3-pyridinyl)-2-[4-(Methylsulfonyl)phenyl]- );Etoricoxib Impurity D
• CAS NO: 221615-75-4
• Molecular Formula: C₁₅H₁₅NO₃S
• Molecular Weight: 289.3495
• Product Categories: API intermediates;RB3;intermediates
• Mol File: 221615-75-4.mol
• Article Data: 18

Chemical Properties

• Boiling Point: 509.695 °C at 760 mmHg
• Flash Point: 262.054 °C
• Appearance: /
• Density: 1.242 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.573
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly, Heated)
• PKA: 3.75±0.10(Predicted)
• CAS DataBase Reference: 2-(4-MESYLPHENYL)-1-(6-METHYLPYRIDIN-3-YL)- ETHAN-1-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-MESYLPHENYL)-1-(6-METHYLPYRIDIN-3-YL)- ETHAN-1-ONE(221615-75-4)
• EPA Substance Registry System: 2-(4-MESYLPHENYL)-1-(6-METHYLPYRIDIN-3-YL)- ETHAN-1-ONE(221615-75-4)

Safety Data

• Hazardous Substances Data: 221615-75-4(Hazardous Substances Data)

Usage

Description

2-(4-MESYLPHENYL)-1-(6-METHYLPYRIDIN-3-YL)ETHAN-1-ONE is a chemical compound that serves as an impurity in the synthesis of Etoricoxib (E934100), a specific inhibitor of COX-2.

Uses

Used in Pharmaceutical Industry:
2-(4-MESYLPHENYL)-1-(6-METHYLPYRIDIN-3-YL)ETHAN-1-ONE is used as an impurity in the synthesis of Etoricoxib (E934100) for its role as a specific inhibitor of COX-2, which is involved in inflammation and pain relief.

InChI:InChI=1/C15H15NO3S/c1-11-3-6-13(10-16-11)15(17)9-12-4-7-14(8-5-12)20(2,18)19/h3-8,10H,9H2,1-2H3

Upstream product

• 5470-70-2 Methyl 6-methylnicotinate 
• 16188-55-9 2-(4-(methylthio)phenyl)acetic acid 
• 52535-35-0 2-methyl-4-(6-methylpyridin-3-yl)but-3-yn-2-ol 
• 36357-38-7 1-(6-methyl-pyridin-3-yl)-ethanone 
• 98-57-7 4-chlorophenyl methyl sulfone 
• 321913-54-6 1-(6-methyl-3-pyridinyl)-2-cyano-2-[(4-methylthio)phenyl]ethanone 
• 90536-66-6 4-(methylsulfonyl)phenylacetic acid 
• 1421227-96-4 lithium (4-methylsulfonylphenyl)acetate 
• 1421227-95-3 sodium (4-methylsulfonylphenyl)acetate 
• 1945-85-3 2-methyl-5-pyridylacetylene 
• 1121-78-4 5-Hydroxy-2-methylpyridine 
• 3466-32-8 4-bromoohenyl methyl sulfone 
• 111770-91-3 (6-methylpyridin-3-yl)trifluoromethanesulfonate 
• 38746-92-8 2-[4-(methylsulfanyl)phenyl]acetonitrile 

Downstream Products

• 2457-47-8 3,5-dichloropyridine 
• 202409-33-4 etoricoxib 
• 307531-96-0 1-(6-methyl-3-pyridinyl)-3-(4-methanesulfonylphenyl)furan 
• 325855-74-1 Etoricoxib-1'-N-Oxide 

Relevant articles and documents

Etoricoxib purification and preparation method

The invention relates to an etoricoxib purification method which includes the operation: performing reduction reaction on etoricoxib crude drugs to be purified and reduction agents in solvents. The invention further relates to a method for preparing etoricoxib. The purity of the finished etoricoxib prepared by the preparation method is higher than 99.9%, the total content of an impurity F, an impurity 20 and an impurity 21 is lower than 0.001%, and no impurity M is detected.

Method for preparing etoricoxib

The invention discloses a method for preparing etoricoxib, and provides a method for preparing etoricoxib I. The method comprises the following step: performing neutralization reaction on hydrohaloride of the etoricoxib I and alkali in a halogenated hydrocarbon solvent to obtain the etoricoxib I, wherein X is halogen. The preparation method is mild in reaction condition, simple and safe in operation and high in yield, no special purification equipment is required, column chromatography separation operation in a posttreatment process is avoided, and the prepared etoricoxib is high in purity (the purity is equal to or higher than 99.5 percent, the content of all impurities is equal to or lower than 0.10 percent, and a raw medicament standard can be met), low in cost and suitable for industrial production.

The Process For Preparing a Ketosulfone Derivative

The present invention relates to a process for preparing a ketosulfone derivative and, more particularly, to an improved method for synthesising 1-(6-methylpyridin-3-yl)-2-[(4-methylsulfonyl)-phenyl]ethanone by means of Pd-catalysed alpha arylation process of a heteroaromatic ketone derivative.