Cas no 1379313-04-8 (4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid)

4-Methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid is a fluorinated pyrimidine derivative with significant utility in pharmaceutical and agrochemical synthesis. The trifluoromethyl group enhances lipophilicity and metabolic stability, making it valuable in the design of bioactive compounds. Its carboxylic acid functionality allows for further derivatization, enabling the formation of amides, esters, and other key intermediates. The compound’s pyrimidine core contributes to its role as a versatile building block in heterocyclic chemistry. High purity and well-defined structural characteristics ensure consistent performance in research and industrial applications. Its stability under standard conditions facilitates handling and storage, supporting its use in advanced synthetic workflows.
4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid structure
1379313-04-8 structure
Product Name:4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid
CAS No:1379313-04-8
MF:C7H5F3N2O2
MW:206.122011899948
MDL:MFCD16614063
CID:4595192
PubChem ID:124706830
Update Time:2025-06-07

4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid
    • MDL: MFCD16614063
    • Inchi: 1S/C7H5F3N2O2/c1-3-2-4(7(8,9)10)12-5(11-3)6(13)14/h2H,1H3,(H,13,14)
    • InChI Key: ZCEQRFYPMKZYHU-UHFFFAOYSA-N
    • SMILES: C1(C(O)=O)=NC(C(F)(F)F)=CC(C)=N1

4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid Security Information

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Additional information on 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid

Introduction to 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid (CAS No. 1379313-04-8)

4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid, identified by the CAS number 1379313-04-8, is a significant compound in the field of pharmaceutical and agrochemical research. Its molecular structure, featuring a pyrimidine core with substituents such as a methyl group at the 4-position and a trifluoromethyl group at the 6-position, along with a carboxylic acid functionality at the 2-position, makes it a versatile intermediate for synthesizing various biologically active molecules.

The compound's unique structural attributes have garnered attention in recent years due to its potential applications in drug discovery and development. The presence of the trifluoromethyl group, in particular, is well-documented for its ability to enhance metabolic stability, lipophilicity, and binding affinity in drug candidates. This feature has made 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid a valuable building block for medicinal chemists seeking to optimize pharmacokinetic profiles of their synthetic molecules.

Recent advancements in synthetic methodologies have further highlighted the utility of this compound. Researchers have demonstrated efficient synthetic routes to 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid that leverage modern catalytic techniques and green chemistry principles. These methods not only improve yield and purity but also minimize waste, aligning with the growing emphasis on sustainable practices in chemical synthesis.

In the realm of pharmaceutical research, 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid has been explored as a precursor for various therapeutic agents. For instance, its structural framework is closely related to nucleoside analogs, which are widely used in antiviral and anticancer therapies. The carboxylic acid moiety provides a handle for further functionalization, enabling the attachment of pharmacophores that target specific biological pathways. Such modifications have led to the discovery of novel compounds with promising preclinical activity.

The agrochemical industry has also benefited from the versatility of 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid. Its derivatives have been investigated as intermediates for herbicides and fungicides, where the trifluoromethyl group contributes to enhanced pesticidal activity by improving binding interactions with biological targets. This has spurred interest in developing new generation crop protection agents based on this scaffold.

From a chemical biology perspective, 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid serves as a useful tool for studying enzyme inhibition and receptor binding. Its structural features allow it to mimic natural pyrimidine derivatives, making it valuable for probing biological mechanisms at the molecular level. Such studies contribute to our understanding of disease pathways and aid in the development of targeted therapeutics.

The synthesis of 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid involves multi-step organic reactions that require precise control over reaction conditions. Advanced spectroscopic techniques such as NMR and mass spectrometry are employed to monitor reaction progress and confirm product identity. These analytical methods ensure high purity standards, which are critical for downstream applications in pharmaceuticals and agrochemicals.

Future research directions may explore novel derivatives of 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid with tailored properties for specific applications. For example, incorporating additional functional groups could enhance bioavailability or improve tissue selectivity in drug delivery systems. Similarly, modifications aimed at increasing environmental compatibility may open doors for greener synthetic routes.

In summary, 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylic acid (CAS No. 1379313-04-8) is a multifaceted compound with significant potential in pharmaceutical and agrochemical innovation. Its unique structural features, coupled with recent advances in synthetic chemistry, make it an indispensable tool for researchers striving to develop next-generation therapeutics and crop protection agents.

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