401-73-0

Basic information

• Product Name: 3-(TRIFLUOROMETHYL)-2-PYRAZOLIN-5-ONE
• Synonyms: 3-trifluoromethyl-1H-5;5-(trifluoroMethyl)-3H-pyrazol-3-one;2,4-Dihydro-5-(trifluoromethyl)-3H-pyrazol-3-one;3-(TrifluoroMethyl)-1H-pyrazol-5(4H)-one;BUTTPARK 44\01-19;4,5-DIHYDRO-3-(TRIFLUOROMETHYL)PYRAZOL-5-ONE;3-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOL-5-ONE;3-(TRIFLUOROMETHYL)-2-PYRAZOLIN-5-ONE
• CAS NO: 401-73-0
• Molecular Formula: C₄H₃F₃N₂O
• Molecular Weight: 152.07
• Mol File: 401-73-0.mol
• Article Data: 5

Chemical Properties

• Melting Point: 214-217°C
• Appearance: /
• Density: 1.70
• CAS DataBase Reference: 3-(TRIFLUOROMETHYL)-2-PYRAZOLIN-5-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(TRIFLUOROMETHYL)-2-PYRAZOLIN-5-ONE(401-73-0)
• EPA Substance Registry System: 3-(TRIFLUOROMETHYL)-2-PYRAZOLIN-5-ONE(401-73-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 401-73-0(Hazardous Substances Data)

Usage

General Description

3-(Trifluoromethyl)-2-pyrazolin-5-one is a chemical compound known for its role in organic and medicinal chemistry, often used in the synthesis of various pharmaceuticals and organic materials. This synthetic intermediate comprises carbon, hydrogen, nitrogen, oxygen, and fluorine atoms, and it is white or slightly colored crystalline powder shaped. Due to the presence of the trifluoromethyl and pyrazolinone groups, it possesses unique reactivity, making it useful in producing a wide range of bioactive molecules. However, similar to many chemical substances, it must be appropriately handled and stored to prevent potential harm or risks, considering its possible hazardous property.

Upstream product

• 372-31-6 ethyl 4,4,4-trifluoroacetoacetate 
• 140-87-4 Cyanoacetohydrazide 

Downstream Products

• 30614-13-2 4-(4-chlorophenylhydrazono)-5-trifluoromethyl-2,4-dihydropyrazol-3-one 
• 30659-95-1 4-(4-methoxylphenylhydrazono)-5-trifluoromethyl-2,4-dihydropyrazol-3-one 
• 387829-30-3 (Z)-4-(2-(p-tolyl)hydrazono)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one 
• 387829-08-5 4-phenylhydrazono-5-trifluoromethyl-2,4-dihydropyrazol-3-one 
• 30613-53-7 (Z)-3-(trifluoromethyl)-4-(2-(3-(trifluoromethyl)phenyl)hydrazono)-1H-pyrazol-5(4H)-one 
• 496018-59-8 6-amino-4-[2-(2-chloro-benzyloxy)-phenyl]-3-trifluoromethyl-2,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile 

Relevant articles and documents

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).

Synthesis and antitumor activity of 5-trifluoromethyl-2,4-dihydropyrazol-3- one nucleosides

2,4-Dihydropyrazole glucosides 3a-3c were prepared and tested for their antitumor activity. The structures of these compounds were established by 1H and 13C-NMR spectroscopy. Glucoside 3b shows an in vitro IC50 value of 16.4 μM against proliferation of the human promyelotic leukemia (HL60) cell line.

Letter: On the reaction of ethyl 4,4,4-trifluoroacetoacetate with cyanoacetic acid hydrazide--a novel rearrangement of 1-aminopyridine derivatives.

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