122431-37-2

Basic information

• 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 NO: 122431-37-2
• Molecular Formula: C₅H₅F₃N₂O
• Molecular Weight: 166.1
• EINECS: 1312995-182-4
• Product Categories: Building Blocks;Pyrazole
• Mol File: 122431-37-2.mol
• Article Data: 24

Chemical Properties

• Melting Point: 177-179 °C
• Boiling Point: 106.4°Cat760mmHg
• Flash Point: 18.1°C
• Appearance: Light yellow/Crystalline Powder or Needles
• Density: 1.423g/cm³
• Vapor Pressure: 0.061mmHg at 25°C
• Refractive Index: 1.471
• PKA: 8.08±0.28(Predicted)
• CAS DataBase Reference: 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol(122431-37-2)
• EPA Substance Registry System: 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol(122431-37-2)

Safety Data

• Hazard Codes: Xi,T
• Statements: 36/37/38-25
• Safety Statements: 24/25-45-26
• RIDADR: UN 2811 6.1 / PGIII
• HazardClass: IRRITANT
• Hazardous Substances Data: 122431-37-2(Hazardous Substances Data)

Usage

Chemical Properties

light yellow crystalline powder or needles

InChI:InChI=1/C5H5F3N2O/c1-10-4(11)2-3(9-10)5(6,7)8/h2,11H,1H3

Upstream product

• 372-31-6 ethyl 4,4,4-trifluoroacetoacetate 
• 60-34-4 methylhydrazine 
• 79424-03-6 ethyl 4,4,4-trifluoro-2-butynate 
• 40657-29-2 1,1,1-trifluoro-4,4-diethoxy-3-buten-2-one 
• 944546-18-3 ethyl-4,4,4-trifluoromethylacetoacetate 
• 19968-10-6 5-hydroxy-3-(trifluoromethyl)-1H-pyrazole 
• 77-78-1 dimethyl sulfate 
• 74-88-4 methyl iodide 
• 302-15-8 methylhydrazine sulfuric acid 
• 1522-43-6 ethyl 3-oxo-4,4,4-trifluorobutanoate enol 

Downstream Products

• 128455-62-9 5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde 
• 211256-77-8 4-benzoyl-1-methyl-5-hydroxy-3-trifluoromethylpyrazole 
• 211256-74-5 4-bromo-5-benzoyloxy-1-methyl-3-trifluoromethylpyrazole 
• 211256-73-4 4-bromo-5-(4-methoxybenzoyl)oxy-1-methyl-3-trifluoromethylpyrazole 
• 211256-76-7 4-(4-methoxybenzoyl)-1-methyl-5-hydroxy-3-trifluoromethylpyrazole 
• 211256-75-6 4-(2,4-dichlorobenzoyl)-1-methyl-5-hydroxy-3-trifluoromethylpyrazole 
• 211256-72-3 4-bromo-5-(2,4-dichlorobenzoyl)oxy-1-methyl-3-trifluoromethylpyrazole 
• 179732-64-0 5-hydroxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxaldehyde 
• 481664-22-6 1-methyl-3-(trifluoromethyl)pyrazol-5-yl 2,4-dichlorobenzenesulfonate 
• 946409-57-0 5-benzyloxy-4-hydroxymethyl-1-methyl-3-trifluoromethylpyrazole 
• 1043921-56-7 C₁₂H₇ClF₃N₃O 
• 1279103-70-6 2-(5-Chloro-2-fluoro-phenyl)-5-(2-methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-1H-indole 
• 1279103-76-2 3-Methyl-4-[5-(2-methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-1H-indol-2-yl]-benzoic acid methyl ester 
• 1279106-68-1 2-(5-Chloro-2-fluoro-phenyl)-5-(2-methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-indole-1-carboxylic acid ethyl ester 

Relevant articles and documents

Regiospecific synthesis of polyfluorinated heterocycles

A series of 10 heterocycles was obtained from the reaction of 1,1,1-trifluoro-4,4-diethoxy-3-buten-2-one and 1,1,1,2,2-pentafluoro-4, 4-diethoxy-3-penten-2-one with different dinucleofiles (hydrazine, methyl hydrazine, hydroxylamine and sodium cyanide). The pyrazoles, 4,5-dihydroisoxazoles and pyrrolidinones polyfluoroalkyl substituted were obtained in moderate to good yields under mild conditions.

Pyroxasulfone synthesis method

The invention provides a pyroxasulfone synthesis method. The method comprises the steps of: adopting a compound I as a starting raw material, carrying out cyclization reaction to synthesize an intermediate II, and carrying out chlorination reaction on the intermediate II under the action of a chlorination reagent to obtain an intermediate III; reacting the intermediate III with thiourea to obtaina hydrochloride intermediate IV, wherein the chlorination reagent is phosphorus pentachloride and/or phosphorus oxychloride; reacting the hydrochloride intermediate IV and a compound VI with formaldehyde to obtain an intermediate VII, carrying out difluoromethoxylation reaction on the intermediate VII to obtain an intermediate VIII, and oxidizing the intermediate VIII with hydrogen peroxide in thepresence of a catalyst to obtain pyroxasulfone IX, wherein the catalyst is sodium tungstate and acid. According to the method, the total yield is increased to 31-38%, the raw materials are simple andeasily available, the reaction process is simple and safe, the yield is high, and the method has certain significance for industrial production.

A new method for making pyrazole or pyrimidinone

The invention relates to the use of an amine compound in a method for producing a fluorinated or non-fluorinated 5- or 6-membered heterocyclic compound (preferably pyrazole or pyrimidinone) containingtwo nitrogen atoms in a ring system. The invention also relates to a method for producing a pyrazole or pyrimidinone, which may be fluorinated or may not be fluorinated (non-fluorinated). Each of thefluorinated pyrazole or fluorinated pyrimidinone is a very important structural unit for pharmaceutical and agricultural applications. For example, fungicides are strongly dependent on bifenapram, fluoxastrobin, flubenazolid, fluoxastrobin, pyraclostrobin, and pyracloprid, each with this fluorinated pyrazole as a key structural unit, and benflufenazole respectively, or diflufenacil and chlorfensulfazone (dimethachlor).