509074-26-4

Basic information

• Product Name: Valdecoxib IMpurity F
• Synonyms: 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonyl Chloride;Valdecoxib IMpurity F;Valdecoxib Sulfonyl Chloride;Parecoxib SodiuM IMpurity F;Valdecoxib Sulfonyl Chloride,Valdecoxib IMpurity F;4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonyl chloride;4-(5-Methyl-3-phenyl-4-isoxazolyl)-benzenesulfonyl;Benzenesulfonyl chloride, 4-(5-methyl-3-phenyl-4-isoxazolyl)-
• CAS NO: 509074-26-4
• Molecular Formula: C₁₆H₁₂ClNO₃S
• Molecular Weight: 333.78938
• Product Categories: Amines;Aromatics;Heterocycles;Impurities;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds
• Mol File: 509074-26-4.mol
• Article Data: 17

Chemical Properties

• Boiling Point: 440.6±45.0 °C(Predicted)
• Appearance: /
• Density: 1.340±0.06 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility: Benzene (Slightly), DMSO (Slightly)
• PKA: -3.74±0.50(Predicted)
• Stability: Hygroscopic
• CAS DataBase Reference: Valdecoxib IMpurity F(CAS DataBase Reference)
• NIST Chemistry Reference: Valdecoxib IMpurity F(509074-26-4)
• EPA Substance Registry System: Valdecoxib IMpurity F(509074-26-4)

Safety Data

• Hazardous Substances Data: 509074-26-4(Hazardous Substances Data)

Usage

Uses

Valdecoxib Sulfonyl Chloride is an impurity in the preparation of the cyclooxygenase-2 inhibitor, Valdecoxib (V090000) and its metabolites.

Upstream product

• 7790-94-5 chlorosulfonic acid 
• 37928-17-9 5-methyl-3,4-diphenyl isoxazole 
• 181696-73-1 3,4-diphenyl-4-hydrido-5-hydroxy-5-methylisoxazole 
• 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 
• 185345-56-6 4-(2-oxo-2-phenylethyl)benzenesulfonyl chloride 
• 451-40-1 phenyl benzyl ketone 
• 897927-43-4 4-[(5-methyl-3-phenyl)-4-isoxazolyl]benzenesulfonate sodium salt 
• 952-06-7 deoxybenzoin oxime 

Downstream Products

• 181696-35-5 5-methyl-3-phenyl-4-(4-sulfophenyl)isoxazole 
• 1373038-60-8 C₃₂H₂₅N₃O₆S₂ 
• 181697-32-5 [[4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl]-carbamic acid, 1,1-dimethylethylester 
• 181697-33-6 [[4-[3-phenyl-5-(3,3,3-trifluoro-2-oxopropyl)isoxazol-4-yl]phenyl]sulfonyl]-carbamic acid, 1,1-dimethylethylester 
• 181696-23-1 4-[3-phenyl-5-(3,3,3-trifluoro-2-oxopropyl)isoxazol-4-yl]benzenesulfonamide 
• 181695-81-8 4-(5-hydroxymethyl-3-phenylisoxazol-4-yl)benzenesulfonamide 
• 473465-11-1 N-ethyl-[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonamide 
• 198470-84-7 parecoxib 
• 181695-72-7 valdecoxib 

Relevant articles and documents

Preparation method of parecoxib sodium

The invention belongs to the technical field of parecoxib sodium production and provides a preparation method of parecoxib sodium, which comprises the following steps: (1) carrying out sulfonation reaction on acetophenone and chlorosulfonic acid to obtain an intermediate (I) 1-phenyl-2-(4-sulfonyl chloride phenyl)acetophenone; (2) carrying out acetylation reaction on the intermediate I and acetyl chloride to obtain an intermediate (II) 1-phenyl-2-(4-sulfonyl chloride phenyl)-2-acetyl ethanone; (3) refining the intermediate II; (4) carrying out cyclization reaction on the refined intermediate II and hydroxylamine hydrochloride to obtain an intermediate III 4-(5-methyl-3-phenyl-4-isoxazole)benzenesulfonyl chloride; (5) carrying out ammoniation reaction on the intermediate III and ammonia water to obtain an intermediate IV 4-(5-methyl-3-phenyl-4-isoxazole)benzenesulfonamide; (6) carrying out propionylation reaction on the intermediate IV and propionic anhydride to obtain parecoxib; and (7) carrying out salt forming reaction on the intermediate V and sodium hydroxide to obtain the parecoxib sodium. The technical problems that an existing parecoxib sodium synthesis method is complex in reaction process and high in production cost are solved.

Preparation method of parecoxib sodium

The invention belongs to the technical field of medicines, and particularly relates to a preparation method of parecoxib sodium. 5-methyl-3, 4-diphenyl isoxazole is used as a raw material, and the parecoxib sodium is obtained through sulfonation reaction, ammoniation reaction, propionylation reaction and salification. The method has the advantages of mild reaction, easy operation, great reductionof the generation of HCl gas, short reaction time, high product yield, and suitableness for industrial production.

Handkerchief auspicious past cloth sodium impurities and its preparation method

The invention provides a handkerchief auspicious past cloth sodium impurities and its preparation method, the impurity is 4, 4' - (sulfonyl (4, 1 phenylene)) b (5 - methyl - 3 - phenyl isoxazole). The present invention provides a compound can be used as a