1037546-03-4

Basic information

• Product Name: 2-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonyl chloride
• Synonyms: 2-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonyl chloride
• CAS NO: 1037546-03-4
• Molecular Weight: 333.795
• Mol File: 1037546-03-4.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 2-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonyl chloride(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonyl chloride(1037546-03-4)
• EPA Substance Registry System: 2-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonyl chloride(1037546-03-4)

Safety Data

• Hazardous Substances Data: 1037546-03-4(Hazardous Substances Data)

Usage

Molecular structure

Contains a benzene ring and an isoxazole ring
The compound has a benzene ring, which is a six-carbon ring with alternating single and double bonds, and an isoxazole ring, a five-membered ring with one oxygen and two nitrogen atoms.

Functional group

Sulfonyl chloride
The compound has a sulfonyl chloride functional group, which is a chlorine atom attached to a sulfonyl group (a sulfur atom double-bonded to an oxygen atom and single-bonded to an arene or alkene).

Usage

Organic synthesis reagent
It is commonly used in organic synthesis to introduce the sulfonyl chloride group into various organic molecules.

Applications

Synthesis of pharmaceuticals and agrochemicals
The compound is particularly useful in the synthesis of pharmaceuticals and agrochemicals, such as sulfonylurea herbicides.

Safety concerns

Corrosive and toxic
Due to its corrosive and toxic nature, it is important to handle 2-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonyl chloride with care.

Upstream product

• 21906-31-0 1-(2-bromophenyl)propane-2-one 
• 698-16-8 benzohydroximoyl chloride 
• 932-90-1 Benzaldoxime 
• 1969-72-8 (2-nitrophenyl)acetone 
• 37928-17-9 5-methyl-3,4-diphenyl isoxazole 

Relevant articles and documents

Chemical and biological investigation of N-hydroxy-valdecoxib: An active metabolite of valdecoxib

The inhibition of cyclooxygenase enzymes plays an important role in the treatment of inflammatory diseases. N-Hydroxy-4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide (3)-a primary metabolite of the highly selective COX-2 inhibitor valdecoxib-was synthesized and stabilized as its monohydrate (3a·H2O). The anti-inflammatory properties of 3a·H2O were investigated in carrageenan-induced edema and in acute and chronic pain models. Based on our biological investigation, we conclude that N-hydroxy-valdecoxib 3a is an active metabolite of valdecoxib.

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%.