1373038-57-3

Basic information

• Product Name: C₁₆H₁₂ClNO₃S
• Synonyms: C₁₆H₁₂ClNO₃S
• CAS NO: 1373038-57-3
• Molecular Weight: 333.795
• Mol File: 1373038-57-3.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: C₁₆H₁₂ClNO₃S(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₆H₁₂ClNO₃S(1373038-57-3)
• EPA Substance Registry System: C₁₆H₁₂ClNO₃S(1373038-57-3)

Safety Data

• Hazardous Substances Data: 1373038-57-3(Hazardous Substances Data)

Usage

Uses

3-(5-Methyl-4-phenylisoxazol-3-yl)benzene-1-sulfonyl Chloride is an impurity of Parecoxib Sodium (P193275). Also a reagent for the synthesis of valdecoxib.

Upstream product

• 37928-17-9 5-methyl-3,4-diphenyl isoxazole 
• 857259-65-5 5-methyl-3,4-diphenyl-5-(pyrrolidin-1-yl)-4,5-dihydroisoxazole 
• 52201-28-2 1-(1-methyl-2-phenyl ethenyl)-pyrrolidine 
• 103-79-7 1-phenyl-acetone 
• 99-61-6 3-nitro-benzaldehyde 
• 3431-62-7 3-nitrobenzaldoxime 
• 33512-94-6 m-nitrobenzhydroxamoyl chloride 

Downstream Products

• 1373038-56-2 3-(5-methyl-4-phenylisoxazol-3-yl)benzenesulfonamide 

Relevant articles and documents

Synthesis method of parecoxib sodium isomeric impurities

The invention provides a synthesis method of parecoxib sodium isomeric impurities. Structures of the parecoxib sodium isomeric impurities are shown in formulae I and II in the description. The synthesis method comprises the following steps: the compound as shown in the formula I is subjected to reaction with the compound as shown in formula II or the compound as shown in formula III under the action of alkali, and a compound as shown in formula IV is generated; the corresponding parecoxib sodium isomeric impurities are generated by reduction reaction, diazotization, sulfonylation, amino substitution reaction and acylation reaction; the total reaction yield is higher than 22%, and purity of a target product is higher than 99%.

Application of [3+2]-cycloaddition in the synthesis of valdecoxib

A large scale synthesis of valdecoxib 1 is described. Our work features potential application of [3+2]-dipolar cycloaddition involving enamine and in situ-generated nitrile oxide derivatives. Dr. Reddy's Laboratories Ltd.