6833-82-5

Basic information

• Product Name: Methyl 5-(TrifluoroMethyl)pyrazole-3-carboxylate
• Synonyms: Methyl 5-(TrifluoroMethyl)pyrazole-3-carboxylate;5-trifluoromethyl-1(2)H-pyrazole-3-carboxylic acid methyl ester
• CAS NO: 6833-82-5
• Molecular Formula: C6H5F3N2O2
• Molecular Weight: 194.1113096
• Mol File: 6833-82-5.mol
• Article Data: 11

Chemical Properties

• Melting Point: 134.5-135 °C
• Boiling Point: 276.2±40.0 °C(Predicted)
• Appearance: /
• Density: 1.466±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 7.60±0.10(Predicted)
• CAS DataBase Reference: Methyl 5-(TrifluoroMethyl)pyrazole-3-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 5-(TrifluoroMethyl)pyrazole-3-carboxylate(6833-82-5)
• EPA Substance Registry System: Methyl 5-(TrifluoroMethyl)pyrazole-3-carboxylate(6833-82-5)

Safety Data

• Hazardous Substances Data: 6833-82-5(Hazardous Substances Data)

Usage

General Description

Methyl 5-(TrifluoroMethyl)pyrazole-3-carboxylate is a chemical compound with the molecular formula C7H7F3N2O2. It is a pyrazole derivative that contains a methyl ester group and a trifluoromethyl group. Methyl 5-(TrifluoroMethyl)pyrazole-3-carboxylate is commonly used as a building block in organic synthesis, particularly in the pharmaceutical industry for the development of new drugs. It exhibits potential biological activity and has been studied for its anti-inflammatory and analgesic properties. Methyl 5-(TrifluoroMethyl)pyrazole-3-carboxylate is known for its stability and compatibility with a wide range of reagents and solvents, making it a versatile and valuable intermediate in chemical and pharmaceutical research.

Upstream product

• 2236129-81-8 trifluoroacetaldehyde N-triftosylhydrazone 
• 922-67-8 propynoic acid methyl ester 
• 59733-95-8 ethyl 3,3,3-trifluoromethyl-2-diazopropionate 
• 373-88-6 2,2,2-trifluroethylamine hydrochloride 
• 67-56-1 methanol 
• 129768-28-1 3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid 
• 10010-93-2 3-methyl-5-(trifluoromethyl)pyrazole 
• 367-57-7 1,1,1-Trifluoro-2,4-pentanedione 
• 753-90-2 trifluoroethylamine 
• 371-67-5 2,2,2-trifluorodiazoethane 

Downstream Products

• 1374862-87-9 2-(trifluoromethyl)-5-(3-((3-(trifluoromethyl)phenyl)sulfonyl)benzyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one 
• 1374864-36-4 5-(3-methyl-3-((3-(trifluoromethyl)phenyl)sulfonyl)butyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one 
• 129768-28-1 3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid 
• 1276541-94-6 5-(trifluoromethyl)-1H-pyrazole-3-carboxamide 

Relevant articles and documents

Cycloaddition of Trifluoroacetaldehyde N-Triftosylhydrazone (TFHZ-Tfs) with Alkynes for Synthesizing 3-Trifluoromethylpyrazoles

A transition-metal-free [3 + 2] cycloaddition between trifluoroacetaldehyde N-triftosylhydrazone (TFHZ-Tfs) and alkynes is reported. This protocol provides an operationally simple and general method for the synthesis of diverse 3-trifluoromethylpyrazoles in good to excellent yields with broad substrate scope, including aryl, heteroaryl, and alkyl terminal alkynes, and electron-deficient internal alkynes. The synthetic potential of this method was further demonstrated by the synthesis of an antiarthritic drug Celecoxib in multigram scale.

Preparation methods for pyrazole compound

The invention discloses preparation methods for a pyrazole compound. The preparation methods include a method A and a method B. The method A comprises a step of subjecting a compound as shown in a formula (II-A) which is described in the specification and a compound as shown in a formula (III) which is described in the specification to a cyclization reaction in a solvent so as to obtain a compound as shown in a formula (I) which is described in the specification. The method B comprises a step of subjecting a compound as shown in a formula (II-B) which is described in the specification and the compound as shown in the formula (III) which is described in the specification to a cyclization reaction in a solvent so as to obtain the compound as shown in the formula (I) which is described in the specification. The preparation methods use cheap and easily available raw materials, are low in production cost, mild in reaction conditions, simple to operate, high in yield and purity of the target compound, green and environment-friendly, and more suitable for industrial production.

Direct [3+2]-cycloaddition of electron-deficient alkynes with CF3CHN2: Regioselective one-pot synthesis of 3-trifluoromethylpyrazoles

A direct and facile cycloaddition reaction of electron-deficient terminal alkynes with 2,2,2-trifluorodiazoethane under mild conditions to afford a series of 5-substituted 3-trifluoromethylpyrazoles in high yields is described. The potential application of this cycloaddition reaction was demonstrated via the efficient synthesis of a key intermediate of the antiviral drug AS-136A and a fluorinated analog of Tebufenpyrad.