4-Desmethyl-2-methyl Celecoxib

Base Information

• Chemical Name: 4-Desmethyl-2-methyl Celecoxib
• CAS No.: 170569-99-0
• Molecular Formula: C₁₇H₁₄F₃N₃O₂S
• Molecular Weight: 381.378
• European Community (EC) Number: 695-170-1
• UNII: R33DD74FP2
• Nikkaji Number: J1.518.188E
• Pharos Ligand ID: 8PCV15BNYLV3
• ChEMBL ID: CHEMBL28599
• Mol file: 170569-99-0.mol

Synonyms:4-Desmethyl-2-methyl Celecoxib;170569-99-0;CHEMBL28599;R33DD74FP2;4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-(5-(2-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide;4-(5-(o-Tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide;Benzenesulfonamide, 4-(5-(2-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-;4-[5-(2-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzenesulfonamide;UNII-R33DD74FP2;SCHEMBL3239998;BCP30820;BDBM50057539;4-(5-o-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide;4-[3-(Trifluoromethyl)-5-(o-tolyl)-1H-pyrazole-1-yl]benzenesulfonamide;Benzenesulfonamide, 4-[5-(2-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-;4-[5-(2-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide;Celecoxib Impurity C;4-Desmethyl-2-methyl Celecoxib pound>>4-[5-(2-Methylphenyl)-3-trifluoromethyl-1H-pyrazol-1-yl]benzenesulfonamide

Chemical Property of 4-Desmethyl-2-methyl Celecoxib

Chemical Property:

• Melting Point: 128-132°C
• Boiling Point: 514.6±60.0 °C(Predicted)
• PKA: 9.67±0.10(Predicted)
• PSA: 86.36000
• Density: 1.43±0.1 g/cm3(Predicted)
• LogP: 5.29500
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 381.07588236
• Heavy Atom Count: 26
• Complexity: 585

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-Desmethyl-2-methylCelecoxib ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
• Uses: 4-Desmethyl-2-methyl Celecoxib is an analog of Celecoxib (C251000). It is a cyclooxygenase 2 inhibitor.

Technology Process of 4-Desmethyl-2-methyl Celecoxib

There total 1 articles about 4-Desmethyl-2-methyl Celecoxib 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:

→ 4-[5-(2-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide (170569-99-0)

Guidance literature: