Valdecoxib IMpurity-E

Base Information

• Chemical Name: Valdecoxib IMpurity-E
• CAS No.: 1373038-63-1
• Molecular Formula: C₁₆H₁₁Cl₂NO₅S₂
• Molecular Weight: 432.305
• Mol file: 1373038-63-1.mol

Synonyms:

Chemical Property of Valdecoxib IMpurity-E

Chemical Property:

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 3-[4-[4-(Chlorosulfonyl)phenyl]-5-methyl-3-isoxazolyl]benzenesulfonyl Chloride is a reagent for the synthesis of Valdecoxib, a non steroidal anti-inflammatory drug.

Technology Process of Valdecoxib IMpurity-E

There total 3 articles about Valdecoxib IMpurity-E which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

5-methyl-3,4-diphenyl isoxazole (37928-17-9) → C16H11Cl2NO5S2 (1373038-63-1)

Guidance literature:

With chlorosulfonic acid; In dichloromethane; at 0 ℃; Reflux;

DOI:10.1080/00397911.2010.528572

Reference yield:

1-(1-methyl-2-phenyl ethenyl)-pyrrolidine (52201-28-2) → C16H11Cl2NO5S2 (1373038-63-1)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / dichloromethane / 5 - 35 °C / Large scale reaction

2: hydrogenchloride / water / 98 - 102 °C / Large scale reaction

3: chlorosulfonic acid / dichloromethane / 0 °C / Reflux

With hydrogenchloride; chlorosulfonic acid; triethylamine; In dichloromethane; water;

DOI:10.1080/00397911.2010.528572

Reference yield:

5-methyl-3,4-diphenyl-5-(pyrrolidin-1-yl)-4,5-dihydroisoxazole (857259-65-5) → C16H11Cl2NO5S2 (1373038-63-1)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / water / 98 - 102 °C / Large scale reaction

2: chlorosulfonic acid / dichloromethane / 0 °C / Reflux

With hydrogenchloride; chlorosulfonic acid; In dichloromethane; water;

DOI:10.1080/00397911.2010.528572

upstream raw materials:

5-methyl-3,4-diphenyl isoxazole

5-methyl-3,4-diphenyl-5-(pyrrolidin-1-yl)-4,5-dihydroisoxazole

1-(1-methyl-2-phenyl ethenyl)-pyrrolidine

Downstream raw materials:

C₁₆H₁₅N₃O₅S₂

Refernces