870787-06-7 | 3-(trifluoroMethyl)pyrazine-2-carboxylic acid

CAS:870787-06-7 | 3-(trifluoroMethyl)pyrazine-2-carboxylic acid,Description

3-(Trifluoromethyl)pyrazine-2-carboxylic acid is a chemical compound with the CAS Number: 870787-06-7. It has a molecular weight of 192.1and its linear formula is C6H3F3N2O2. It is used as a reactant in the synthesis and biological activity of a novel fungicide, (N-Biphenylyl)pyrazine Carboxamides.

Synthesis Analysis

The synthesis of 3-(Trifluoromethyl)pyrazine-2-carboxylic acid involves a reaction with 2-chloro-1-methyl-pyridinium iodide and triethylamine in tetrahydrofuran. The reaction is carried out under heating/reflux conditions for 2 hours.

Molecular Structure Analysis

The molecular structure of 3-(Trifluoromethyl)pyrazine-2-carboxylic acid is characterized by the presence of a pyrazine ring with a trifluoromethyl group at the 3-position and a carboxylic acid group at the 2-position.

Chemical Reactions Analysis

3-(Trifluoromethyl)pyrazine-2-carboxylic acid is used as a reactant in the synthesis of a novel fungicide, (N-Biphenylyl)pyrazine Carboxamides. The exact chemical reactions involving this compound are not specified in the available resources.

Physical And Chemical Properties Analysis

3-(Trifluoromethyl)pyrazine-2-carboxylic acid is a solid at room temperature. It has a high GI absorption and is BBB permeant. Its water solubility is classified as very soluble.

Scientific Research Applications

Synthesis and Chemical Properties

• Synthesis Techniques : A synthesis method for Ethyl 3-(Trifluoromethyl)pyrazine-2-carboxylate involves the treatment of ethyl 2-hydroxyimino-4,4,4-trifluoro-3-oxobutanoate with trialkyl phosphites and other reactants, allowing the creation of an intermediate that can be aromatized to a pyrazine (Zaragoza & Gantenbein, 2017).
• Crystal Structure : A monoclinic polymorph of pyrazinic acid (a related compound) has been characterized, providing insights into its molecular structure and bonding patterns, which are important for understanding the chemical behavior and potential applications of related compounds (Shi, Wu, & Xing, 2006).

Applications in Synthesis and Materials

• Creation of Fluorinated Pyrazoles : The compound has been used in the synthesis of fluorinated pyrazoles, an important class of compounds with potential applications in pharmaceuticals and materials science (Ohtsuka et al., 2012).
• Supramolecular Architecture : The use of related compounds like 3-aminopyrazine-2-carboxylic acid in creating supramolecular architectures involving sodium coordination polymers highlights the potential of these chemicals in developing new materials with unique properties (Tayebee, Amani, & Khavasi, 2008).
• Molecular Co-crystals : Co-crystals of pyrazine-2,3-dicarboxylic acid with other carboxylic acids have been studied, showing the importance of these compounds in understanding and designing crystal structures with specific properties (Lynch et al., 1994).

Biochemical and Pharmaceutical Research

• Cytotoxicity Studies : Computational studies on the cytotoxicity of substituted amides of pyrazine-2-carboxylic acids provide insights into their biological activities and potential pharmaceutical applications (Hosseini et al., 2013).
• Antimycobacterial Properties : Research into substituted pyrazinecarboxamides, which are related to pyrazine-2-carboxylic acid derivatives, has revealed significant antimycobacterial properties, indicating the potential for these compounds in treating bacterial infections (Doležal et al., 2008) .

Physical and Material Chemistry

• Luminescence Studies : Complexes of Eu(III) and Gd(III) with pyrazine-2-carboxylic acid have been synthesized and studied for their luminescence properties, suggesting applications in materials science and sensor technology (Mesquita et al., 2004).

Safety And Hazards

The safety information for 3-(Trifluoromethyl)pyrazine-2-carboxylic acid includes a GHS07 pictogram and a warning signal word. The hazard statements include H302-H315-H319-H335, indicating that it is harmful if swallowed, causes skin irritation, causes serious eye irritation, and may cause respiratory irritation. The precautionary statements include P261-P305+P351+P338, advising to avoid breathing dust/fume/gas/mist/vapours/spray, and if in eyes, rinse cautiously with water for several minutes and remove contact lenses if present and easy to do.

Future Directions

3-(Trifluoromethyl)pyrazine-2-carboxylic acid has been used as a reactant in the synthesis of a novel fungicide, (N-Biphenylyl)pyrazine Carboxamides. This suggests potential future directions in the development of new fungicides.

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