129768-28-1

Basic information

• Product Name: 5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
• Synonyms: 5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID;3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid;Albb-005389;3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE);3-Carboxy-5-(trifluoromethyl)-1H-pyrazole;1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-;5-Trifluoromethylpyrazole-3-carboxylic acid;3-(Trifluoromethyl)pyrazole-5-carboxylic Acid
• CAS NO: 129768-28-1
• Molecular Formula: C₅H₃F₃N₂O₂
• Molecular Weight: 180.08
• Product Categories: pharmacetical
• Mol File: 129768-28-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 354.2°C at 760 mmHg
• Flash Point: 168°C
• Appearance: /
• Density: 1.682g/cm³
• Vapor Pressure: 1.26E-05mmHg at 25°C
• Refractive Index: 1.485
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 3.55±0.10(Predicted)
• CAS DataBase Reference: 5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID(129768-28-1)
• EPA Substance Registry System: 5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID(129768-28-1)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22-20/21/22
• Safety Statements: 36/37
• HazardClass: IRRITANT
• Hazardous Substances Data: 129768-28-1(Hazardous Substances Data)

Usage

Chemical Properties

Off-white solid

InChI:InChI=1/C5H3F3N2O2/c6-5(7,8)3-1-2(4(11)12)9-10-3/h1H,(H,9,10)(H,11,12)

Upstream product

• 129768-30-5 5-trifluoromethyl-2H-pyrazole-3-carboxylic acid ethyl ester 
• 6833-82-5 3-trifluoromethyl-1H-pyrazole-5-carboxylic acid methyl ester 
• 881693-05-6 1-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid 

Downstream Products

• 877402-84-1 N-(3-bromopropyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide 
• 1276674-08-8 N-((1S,4S)-4-fluoro-4-(3-fluoro-5-(trifluoromethyl)phenylsulfonyl)cyclohexyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide 
• 1276674-26-0 5-((1S,4S)-4-fluoro-4-(3-fluoro-5-(trifluoromethyl)phenylsulfonyl)cyclohexyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one 
• 877402-79-4 4-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine 
• 877402-82-9 2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4(5H)-one 
• 1605285-64-0 N-(2-chloro-3-nitrobenzyl)-N-(2-(1,1-dioxidotetrahydrothiophen-3-yl)ethyl)-3(trifluoromethyl)-1H-pyrazole-5-carboxamide 
• 1605288-65-0 tert-butyl (3-fluoro-2-((N-(2-(tetrahydro-2H-thiopyran-4-yl)ethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamido)methyl)phenyl)carbamate 
• 1605285-39-9 C₁₉H₂₁ClF₃N₃OS 
• 1605285-28-6 C₁₈H₁₉ClF₃N₃O₃S 
• 1605285-23-1 C₂₂H₂₅F₄N₃O₃ 
• 6833-82-5 3-trifluoromethyl-1H-pyrazole-5-carboxylic acid methyl ester 
• 877402-80-7 N-(2,2-dimethoxyethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide 

Relevant articles and documents

One-pot synthesis of CF3-substituted pyrazolines/pyrazoles from electron-deficient alkenes/alkynes and CF3CHN2 generated in situ: Optimized synthesis of tris(trifluoromethyl)pyrazole

The [3+2] cycloaddition of CF3CHN2, generated in situ, with electron-deficient alkenes/alkynes affords CF3-substituted pyrazolines/pyrazoles in quantitative yields. The one-pot three-component reaction between CF3/su

Synthesis of Celecoxib, Mavacoxib, SC-560, Fluxapyroxad, and Bixafen Enabled by Continuous Flow Reaction Modules

Multi-step continuous flow synthesis enables a parallel approach to obtain agrochemicals and pharmaceuticals containing 3-fluoroalkyl pyrazole cores. In this system, fluorinated amines are transformed into pyrazole cores through a telescoped in situ generation and consumption of diazoalkanes. Once synthesized, additional continuous flow and batch reactions add complexity to the pyrazole core via C–N arylation and methylation, TMS cleavage, and amidation. Using this modular assembly line approach, Bixafen and Fluxapyroxad were synthesized in 38 % yield over four continuous flow steps in an overall reaction time of 56 min. Finally, coupling selected continuous flow processes with an offline (batch) Ullmann coupling afforded Celecoxib, Mavacoxib, and SC-560 in 33–54 % yield over two to three steps.

Tricycles, their manufacture and use as pharmaceutical agents

The present invention relates to compounds of formula I their pharmaceutically acceptable salts, enantiomeric forms, diastereoisomers and racemates, the preparation of the above-mentioned compounds, medicaments containing them and their manufacture, as well as the use of the above-mentioned compounds in the control or prevention of illnesses such as cancer.