1037546-03-4

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

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

Relevant academic research and scientific papers

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.

Parecoxib sodium related substance as well as preparation method and application thereof

The invention relates to a parecoxib sodium related substance as well as a preparation method and an application thereof, in particular to 2-(5-methyl-3-phenylisoxazole-4-yl)benzenesulfonamide as wellas a preparation method and an application thereof. The provided high-purity parecoxib sodium related substance can effectively improve the scientificity and accuracy of detection of impurities of parecoxib sodium and intermediates thereof, can effectively and conveniently monitor the content of impurities of parecoxib sodium and preparations thereof and is favorable for controlling the quality of parecoxib sodium and preparations thereof, so that the safety and the effectiveness of the compound and the preparations thereof are guaranteed.

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%.