169213-78-9

Basic information

• Product Name: 3-(3-TRIFLUOROMETHYL-1H-PYRAZOL-4-YL)-PROPAN-1-OL
• Synonyms: 4-(3-HYDROXYPROPYL)-3-(TRIFLUOROMETHYL)PYRAZOLE;3-[3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL]-1-PROPANOL;3-(3-TRIFLUOROMETHYL-1H-PYRAZOL-4-YL)-PROPAN-1-OL;4-(3-Hydroxyprop-1-yl)-3-(trifluoromethyl)-1H-pyrazole
• CAS NO: 169213-78-9
• Molecular Formula: C₇H₉F₃N₂O
• Molecular Weight: 194.15
• Product Categories: pharmacetical
• Mol File: 169213-78-9.mol
• Article Data: 2

Chemical Properties

• Melting Point: 79-81°
• Boiling Point: 299.2±35.0 °C(Predicted)
• Appearance: /
• Density: 1.373±0.06 g/cm3(Predicted)
• PKA: 11.20±0.50(Predicted)
• CAS DataBase Reference: 3-(3-TRIFLUOROMETHYL-1H-PYRAZOL-4-YL)-PROPAN-1-OL(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(3-TRIFLUOROMETHYL-1H-PYRAZOL-4-YL)-PROPAN-1-OL(169213-78-9)
• EPA Substance Registry System: 3-(3-TRIFLUOROMETHYL-1H-PYRAZOL-4-YL)-PROPAN-1-OL(169213-78-9)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 169213-78-9(Hazardous Substances Data)

Upstream product

• 110-87-2 3,4-dihydro-2H-pyran 
• 354-64-3 Pentafluoroethyl iodide 
• 109317-74-0 1-(3,4-dihydro-2H-5-pyranyl)-2,2,2-trifluoro-1-ethanone 

Relevant articles and documents

Synthesis of a series of trifluoromethylazoles and determination of pKa of acidic and basic trifluoromethyl heterocycles by 19F NMR spectroscopy

Trifluoroacetylation at the 5-position of 3,4-dihydro-2H-pyran and the 3-position of 4,5-dihydrofuran, followed by treatment with hydrazine, gave 3-(3-trifluoromethyl-1H-pyrazol-4-yl)propanol and 2-(3-trifluoromethyl-1H-pyrazol-4-yl)ethanol, respectively.In the latter case, an intermediate dimer was isolated.Isomeric 2-(3-trifluoromethyl-1H-pyrazol-5-yl)ethanol was formed by reaction of hydrazine with 6-benzyloxy-1,1,1-trifluorohex-3-yn-2-one and deprotection.Reaction of 3-benzyloxypropylamine with 2,5-bis(trifluoromethyl)-1,3,4-oxadiazole, followed by deprotection, afforded 3-propanol.A series of 2-trifluoromethyl-1H-benzimidazoles and 2-trifluoromethyl-3H-imidazopyridines were prepared by condensation of the appropriate ortho-arenediamine with trifluoroacetic acid.Analysis of the 19F NMR spectra of the trifluoromethylazoles and of 3-trifluoromethylpyridine in aqueous solution at different pHs enabled determination of pKa values.All the compounds evaluated had one or more pKa between 1 and 13, except the triazole.Several compounds were identified as having potential use in measuring pH in biological media by 19F NMR spectroscopy.