481065-92-3

Basic information

• Product Name: 1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid(SALTDATA: FREE)
• Synonyms: 1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid(SALTDATA: FREE);1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid(SALTDATA
• CAS NO: 481065-92-3
• Molecular Formula: C₆H₅F₃N₂O₂
• Molecular Weight: 194.1113096
• Mol File: 481065-92-3.mol

Chemical Properties

• Melting Point: 127-129 °C
• Boiling Point: 288.8±40.0 °C(Predicted)
• Appearance: /
• Density: 1.56±0.1 g/cm3(Predicted)
• PKA: 3.62±0.10(Predicted)
• CAS DataBase Reference: 1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid(SALTDATA: FREE)(CAS DataBase Reference)
• NIST Chemistry Reference: 1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid(SALTDATA: FREE)(481065-92-3)
• EPA Substance Registry System: 1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid(SALTDATA: FREE)(481065-92-3)

Safety Data

• Hazardous Substances Data: 481065-92-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research:
1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid (SALTDATA: FREE) is used as a building block in the development of new compounds for pharmaceutical research. Its unique structure and functional groups contribute to the creation of innovative drugs with potential therapeutic applications.
Used in Agrochemical Synthesis:
In the agrochemical industry, 1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid (SALTDATA: FREE) serves as an intermediate for the synthesis of various agrochemicals. Its properties allow for the development of effective products for crop protection and pest control.
Used in Dye and Pigment Manufacturing:
1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid (SALTDATA: FREE) is utilized in the production of dyes and pigments, where its chemical structure imparts specific color and stability properties to the final products.
Used in Specialty Chemicals Production:
1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid(SALTDATA: FREE) also finds application in the manufacturing of specialty chemicals, where its unique attributes can be harnessed for specific industrial applications, such as in the development of high-performance materials or advanced chemical formulations.

Upstream product

• 124-38-9 carbon dioxide 
• 153085-15-5 1-methyl-5-(trifluoromethyl)-1H-pyrazole 
• 497833-03-1 4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid 
• 74-88-4 methyl iodide 
• 1024599-21-0 3-(2-furyl)-1-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol 
• 326-90-9 4,4,4-trifluoro-1-(2-furanyl)-1,3-butanedione 
• 1024599-51-6 5-trifluoromethyl-3-(fur-2-yl)-1-methyl-1H-pyrazole 
• 497832-98-1 4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole 

Downstream Products

• 149978-42-7 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-amine 
• 1001519-38-5 4-chloro-5-trifluoromethyl-1-methylpyrazole-3-carboxylic acid 

Relevant articles and documents

COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS

The present invention relates to compounds of Formula (Ia) or pharmaceutically acceptable salts, hydrates, solvates, clathrates, polymorphs, stereoisomers thereof. It further discloses a pharmaceutical composition comprising the compounds of Formula (Ia) and the use of compounds of Formula (Ib), in particular to modulate CFTR protein or ABC protein activities.

OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL

The present invention provides an oxadiazolinone derivative represented by the formula (I) suitable for use in pest control: wherein G represents a 5- or 6-membered heterocyclic ring containing at least one of oxygen, nitrogen and sulfur atoms, and the he

Improved regioselectivity in pyrazole formation through the use of fluorinated alcohols as solvents: Synthesis and biological activity of fluorinated tebufenpyrad analogs

(Chemical Equation Presented) The preparation of N-methylpyrazoles is usually accomplished through reaction of a suitable 1,3-diketone with methylhydrazine in ethanol as the solvent. This strategy, however, leads to the formation of regioisomeric mixtures of N-methylpyrazoles, which sometimes are difficult to separate. We have determined that the use of fluorinated alcohols such as 2,2,2-trifluoroethanol (TFE) and 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) as solvents dramatically increases the regioselectivity in the pyrazole formation, and we have used this modification in a straightforward synthesis of fluorinated analogs of Tebufenpyrad with acaricide activity.

Switchable reactivity: The site-selective functionalization of trifluoromethyl-substituted pyrazoles

Modern organometallic methods enable the regioflexible conversion of simple heterocyclic starting materials into families of isomers and congeners. Depending on the choice of the reagent, 1-methyl-5-(trifluoromethyl)pyrazole (1) undergoes deprotonation and subsequent carboxylation mainly or exclusively at either the 4-position of the heterocycle or at the nitrogen-attached methyl group. Similarly, 1-phenyl-5-(trifluoromethyl)pyrazole (5) and 3-methyl-l-phenyl-5-(trifluoromethyl)pyrazole (8) are selectively attacked by lithium diisopropylamide at the heterocyclic 4-position and by butyllithium concomitantly at the 4-position and the ortho position of the phenyl ring. In contrast, metalation of 1-methyl-3-(trifluoromethyl)pyrazole (2) occurs only at the 5-position, whatever the organometallic or metal amide base. Further sites become accessible to functionalization if bromine is introduced into the heterocyclic or aromatic ring. This has been demonstrated with 4-bromo-1-methyl-5-(trifluoromethyl)pyrazole (3), 4-bromo-l-methyl-3-(trifluoromethyl)pyrazole (4), 4-bromo-1-methyl-5-(trifluoromethyl)pyrazole (7) and 1-(2-bromophenyl)-5-(trifluoromethyl)pyrazole (6). Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002.