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

Description

Methyl 5-(TrifluoroMethyl)pyrazole-3-carboxylate is a pyrazole derivative with the molecular formula C7H7F3N2O2. It features a methyl ester group and a trifluoromethyl group, and is recognized for its stability and compatibility with various reagents and solvents. This chemical compound serves as a valuable intermediate in organic synthesis and pharmaceutical research, particularly for the development of new drugs.

Uses

Used in Pharmaceutical Industry:
Methyl 5-(TrifluoroMethyl)pyrazole-3-carboxylate is used as a building block in organic synthesis for the development of new drugs. Its potential biological activity and properties make it a promising candidate for creating innovative pharmaceutical compounds.
Used in Chemical Research:
As a versatile intermediate, Methyl 5-(TrifluoroMethyl)pyrazole-3-carboxylate is utilized in chemical research to explore its reactivity and to synthesize a wide range of chemical products.
Used in Anti-inflammatory and Analgesic Applications:
Methyl 5-(TrifluoroMethyl)pyrazole-3-carboxylate has been studied for its anti-inflammatory and analgesic properties, indicating its potential use in the development of medications aimed at reducing inflammation and pain.

Upstream product

• 2236129-81-8 trifluoroacetaldehyde N-triftosylhydrazone 
• 922-67-8 propynoic acid methyl ester 
• 753-90-2 trifluoroethylamine 
• 371-67-5 2,2,2-trifluorodiazoethane 
• 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 

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.

A Unified Continuous Flow Assembly-Line Synthesis of Highly Substituted Pyrazoles and Pyrazolines

A rapid and modular continuous flow synthesis of highly functionalized fluorinated pyrazoles and pyrazolines has been developed. Flowing fluorinated amines through sequential reactor coils mediates diazoalkane formation and [3+2] cycloaddition to generate more than 30 azoles in a telescoped fashion. Pyrazole cores are then sequentially modified through additional reactor modules performing N-alkylation and arylation, deprotection, and amidation to install broad molecular diversity in short order. Continuous flow synthesis enables the safe handling of diazoalkanes at elevated temperatures, and the use of aryl alkyne dipolarphiles under catalyst-free conditions. This assembly-line synthesis provides a flexible approach for the synthesis of agrochemicals and pharmaceuticals, as demonstrated by a four-step, telescoped synthesis of measles therapeutic, AS-136A, in a total residence time of 31.7 min (1.76 g h?1).