6'-DesMethyl-6'-Methylhydroxy Etoricoxib

Base Information

• Chemical Name: 6'-DesMethyl-6'-Methylhydroxy Etoricoxib
• CAS No.: 349536-41-0
• Molecular Formula: C₁₈H₁₅ClN₂O₃S
• Molecular Weight: 374.848
• Mol file: 349536-41-0.mol

Synonyms:

Chemical Property of 6'-DesMethyl-6'-Methylhydroxy Etoricoxib

Chemical Property:

• Boiling Point: 561.4±50.0 °C(Predicted)
• PKA: 13.18±0.10(Predicted)
• Density: 1.368±0.06 g/cm3(Predicted)

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

6’-Desmethyl-6’-methylhydroxyEtoricoxib ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 6’-Desmethyl-6’-ethylhydroxy Etoricoxib is an impurity of Etoricoxib (E934100), a selective cyclo-oxygenase-2 (COX-2) inhibitor that is used to improve the signs and symptoms of osteoarthritis and rheumatoid arthritis.

Technology Process of 6'-DesMethyl-6'-Methylhydroxy Etoricoxib

There total 2 articles about 6'-DesMethyl-6'-Methylhydroxy Etoricoxib 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: 67.0%

Etoricoxib-1'-N-Oxide (325855-74-1) → 6'-Hydroxymethyletoricoxib (349536-41-0)

Guidance literature:

Etoricoxib-1'-N-Oxide; With acetic anhydride; for 0.25h; Heating;

With sodium hydroxide; In ethanol; for 0.25h;

With potassium carbonate; In methanol; at 20 ℃; for 1h;

DOI:10.1016/S0960-894X(01)00135-4

Reference yield:

etoricoxib (202409-33-4) → 6'-Hydroxymethyletoricoxib (349536-41-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 62 percent / m-CPBA / CH₂Cl₂ / 0.5 h / 20 °C

2.1: Ac₂O / 0.25 h / Heating

2.2: 1N NaOH / ethanol / 0.25 h

2.3: 67 percent / K₂CO₃ / methanol / 1 h / 20 °C

With acetic anhydride; 3-chloro-benzenecarboperoxoic acid; In dichloromethane;

DOI:10.1016/S0960-894X(01)00135-4

upstream raw materials:

Etoricoxib-1'-N-Oxide

etoricoxib

Refernces