219986-64-8

Basic information

• Product Name: 5-(TRIFLUOROMETHYL)-3-P-TOLYL-1H-PYRAZOLE
• Synonyms: 5-(TRIFLUOROMETHYL)-3-P-TOLYL-1H-PYRAZOLE;3-(4-METHYLPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE;3-(4-Methylphenyl)-5-(trifluoromethyl)pyrazole;SALOR-INT L233021-1EA;3-(p-Tolyl)-5-(trifluoromethyl)-1H-pyrazole;Celecoxib Impurity 11
• CAS NO: 219986-64-8
• Molecular Formula: C₁₁H₉F₃N₂
• Molecular Weight: 226.2
• Mol File: 219986-64-8.mol
• Article Data: 3

Chemical Properties

• Melting Point: 155.3-156.8 °C
• Boiling Point: 344.2°C at 760 mmHg
• Flash Point: 162°C
• Appearance: /
• Density: 1.284g/cm³
• Vapor Pressure: 0.000133mmHg at 25°C
• Refractive Index: 1.515
• PKA: 10.08±0.10(Predicted)
• CAS DataBase Reference: 5-(TRIFLUOROMETHYL)-3-P-TOLYL-1H-PYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(TRIFLUOROMETHYL)-3-P-TOLYL-1H-PYRAZOLE(219986-64-8)
• EPA Substance Registry System: 5-(TRIFLUOROMETHYL)-3-P-TOLYL-1H-PYRAZOLE(219986-64-8)

Safety Data

• Hazardous Substances Data: 219986-64-8(Hazardous Substances Data)

Usage

Uses

3-Trifluoromethyl-5-(p-tolyl)-1H-pyrazole is an impurity of cyclooxygenase-2 (COX-2) inhibitor Celecoxib (C251000).

InChI:InChI=1/C11H9F3N2/c1-7-2-4-8(5-3-7)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16)

Upstream product

• 187812-31-3 1,1,1-trifluoro-4-methoxy-4-(4-methylphenyl)-3-buten-2-one 
• 874-60-2 4-methyl-benzoyl chloride 
• 147381-60-0 3-cyano-6-(4-tolyl)-4-trifluoromethyl-2(1H)-pyridone 
• 219986-59-1 5-hydroxy-3-p-tolyl-5-trifluoromethyl-4,5-dihydro-pyrazole-1-carbothioic acid amide 

Relevant articles and documents

A novel approach to the synthesis of 5-trifluoromethyl-3-substituted pyrazoles

The 3-cyano-4-trifluoromethyl-6-phenyl or substituted phenyl 2(1H) pyridones (1) on reaction with hydrazine hydrate, gave exclusively in 5-trifluoromethyl-3-substituted pyrazoles (3) through a novel method. A possible mechanistic pathway for change in the

Haloacetylated enol ethers 10. Condensation of β-alkoxyvinyl trifluoromethyl ketones with thiosemicarbazide. Synthesis of new trifluoromethyl 4,5-dihydro-1H-1-pyrazolethiocarboxyamides

The synthesis of 3-aryl[alkyl]-5-hydroxy-5-trifluoromethyl-4,5-dihydro-1H-1- pyrazolethiocarboxyamides (2a-g) from the direct cyclo-condensation reaction of β-alkoxyvinyl trifluoromethyl ketones (1a-g) with thiosemicarbazide in methanol, under mild conditions, is reported. Similarly, the 1H-1-pyrazolethiocarboxyamide derivatives (2a-g) were easily dehydrated and the thiocarboxyamide group hydrolyzed in a one-step reaction by stirring with concentrated sulfuric acid to give the 3-aryl[alkyl]-5-trifluoromethyl-1H-pyrazoles (3a-g) in good yields. Specific syntheses and physical properties of 3-aryl[alkyl]-5-hydroxy-5-trifluoromethyl-4,5-dihydro-1H-1- pyrazolethiocarboxyamides are reported here for the first time.