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Purchase CAS:122431-37-2 | 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol,view related peer-reviewed papers,technical documents,similar products,MSDS & more.Synthesis AnalysisThe synthesis of 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol and its derivatives involves selective methylation processes that allow for the obtainment of mono-Me-substituted N1- and O-isomers as well as N1,N2-, N1,O-, and N2,O-disubstituted isomers. These processes have been opti...
The synthesis of 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol and its derivatives involves selective methylation processes that allow for the obtainment of mono-Me-substituted N1- and O-isomers as well as N1,N2-, N1,O-, and N2,O-disubstituted isomers. These processes have been optimized to produce specific isomers by controlling the reaction conditions. The tautomeric structure of these compounds has been thoroughly investigated using techniques such as quantum-chemical calculations, X-ray diffraction analysis, and spectroscopy methods (IR and NMR) (Burgart et al., 2019).
The molecular structure of 1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol derivatives has been elucidated through various analytical techniques. X-ray diffraction studies have revealed detailed insights into the crystal structures of these compounds, providing a comprehensive understanding of their molecular geometry and the influence of substituents on the overall molecular conformation. This level of structural detail supports the further investigation of their chemical properties and reactivity patterns.
1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol undergoes a range of chemical reactions, including regiocontrolled N-, O-, and C-methylation, highlighting its versatility as a synthetic intermediate. These reactions enable the synthesis of polyfluorinated antipyrine analogs, demonstrating significant analgesic activity. The methylation direction and reaction outcomes have been rationalized through quantum-chemical calculations, illustrating the compound's reactivity towards different substituents and reaction conditions (Nemytova et al., 2018).
The safety data sheet for 1-Methyl-3-trifluoromethyl-1H-pyrazole indicates that it is considered hazardous by the 2012 OSHA Hazard Communication Standard (29 CFR 1910.1200). It causes skin irritation, serious eye irritation, and may cause respiratory irritation.
Product Name: | 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol |
Synonyms: | 5-HYDROXY-1-METHYL-3-TRIFLUOROMETHYL-1H-PYRAZOLE;5-HYDROXY-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOLE;3-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOL-5-OL;1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-OL;5-Hydroxy-1-methyl-3-trifluoromethyl-1H-pyrazole, 99+%;2-METHYL-3-HYDROXY-5-TRIFLUOROMETHYLPYRAZOLE;1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol, 2-Methyl-5-(trifluoromethyl)-2H-pyrazol-3-ol;2-Methyl-5-trifluoromethyl-2H-pyrazol-3-ol |
CAS: | 122431-37-2 |
MF: | C5H5F3N2O |
MW: | 166.1 |
EINECS: | 626-417-3 |
Product Categories: | Building Blocks;Pyrazole;122431-37-2;top |
Mol File: | 122431-37-2.mol |
1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol Chemical Properties |
Melting point | 177-179 °C |
Boiling point | 224.4±35.0 °C(Predicted) |
density | 1.50±0.1 g/cm3(Predicted) |
solubility | DMSO (Slightly), Methanol (Slightly) |
pka | 8.08±0.28(Predicted) |
form | Crystalline Powder or Needles |
color | Light yellow |
NIST Chemistry Reference | 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one(122431-37-2) |