• 1. Excellent electrochemical performance of LiFe0.4Mn0.6PO4 microspheres produced using a double carbon coating process?
  Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
• 2. Evolution of cellulose into flexible conductive green electronics: a smart strategy to fabricate sustainable electrodes for supercapacitors
  Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
• 3. Emerging 2D hybrid nanomaterials: towards enhanced sensitive and selective conductometric gas sensors at room temperature
  Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
• 4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?
  Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
• 5. Enabling non-flammable Li-metal batteries via electrolyte functionalization and interface engineering?
  Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002

• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Azoles Pyrazoles

Comprehensive Guide to 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile (CAS No. 1001500-48-6): Properties, Applications, and Market Insights

2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile (CAS No. 1001500-48-6) is a specialized heterocyclic compound with a unique molecular structure, combining a pyrazole ring with a trifluoromethyl group and an acetonitrile moiety. This compound has garnered significant attention in pharmaceutical and agrochemical research due to its versatile reactivity and potential as a building block for more complex molecules. Its CAS number, 1001500-48-6, serves as a unique identifier in chemical databases and regulatory documentation.

The molecular formula of 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile is C₇H₆F₃N₃, with a molecular weight of 189.14 g/mol. The presence of the trifluoromethyl group (-CF₃) enhances the compound's lipophilicity, making it particularly valuable in drug design where membrane permeability is crucial. The pyrazole ring contributes to its stability and ability to participate in hydrogen bonding, while the acetonitrile group offers a reactive site for further chemical modifications.

In the pharmaceutical industry, 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile is frequently employed as a key intermediate in the synthesis of biologically active molecules. Researchers have explored its use in developing kinase inhibitors, which are pivotal in cancer therapy and inflammatory diseases. The compound's ability to modulate enzyme activity makes it a valuable asset in medicinal chemistry projects targeting various therapeutic areas.

The agrochemical sector also benefits from this compound's unique properties. Its structural features make it a promising candidate for developing novel pesticides and herbicides. The trifluoromethyl group is particularly advantageous in agrochemicals, as it often enhances the biological activity and environmental stability of the final products. Many modern crop protection agents incorporate similar structural motifs to improve efficacy and reduce environmental impact.

From a synthetic chemistry perspective, 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile offers multiple advantages. The compound serves as an excellent versatile synthon, allowing chemists to access various derivatives through straightforward reactions. Its nitrile functionality can be transformed into amides, acids, or tetrazoles, expanding its utility in combinatorial chemistry and drug discovery programs. These transformations are particularly valuable in creating structure-activity relationship (SAR) libraries for lead optimization.

The global market for 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile has shown steady growth, driven by increasing demand from both pharmaceutical and agrochemical industries. Market analysts project continued expansion as research into small molecule therapeutics and sustainable agriculture solutions intensifies. The compound's CAS number, 1001500-48-6, frequently appears in patent literature and scientific publications, indicating its growing importance in industrial applications.

Quality control and analytical characterization are critical aspects when working with 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile. Standard analytical techniques include HPLC for purity assessment, NMR spectroscopy for structural confirmation, and mass spectrometry for molecular weight verification. These methods ensure the compound meets the stringent requirements of pharmaceutical and agrochemical applications, where impurity profiles can significantly impact performance and safety.

Environmental considerations surrounding 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile have gained attention in recent years. While the compound itself shows moderate stability under standard conditions, researchers are investigating its environmental fate and potential biodegradation pathways. These studies are particularly relevant given the increasing focus on green chemistry principles and sustainable manufacturing processes across the chemical industry.

Storage and handling of 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile require standard laboratory precautions. The compound should be kept in a cool, dry place, protected from moisture and direct sunlight. While not classified as highly hazardous, proper personal protective equipment (PPE) including gloves and safety glasses is recommended when handling the material to prevent potential irritation.

Future research directions for 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile are likely to focus on expanding its applications in drug discovery and material science. The compound's unique combination of structural features makes it an attractive candidate for developing new functional materials with tailored properties. Additionally, its potential in catalysis and organometallic chemistry remains an underexplored area that could yield significant scientific advancements.

For researchers and industry professionals seeking detailed technical information about 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile (CAS No. 1001500-48-6), comprehensive data sheets are available from reputable chemical suppliers. These documents typically include specifications for purity, solubility, spectroscopic data, and recommended storage conditions, providing essential guidance for experimental work and industrial applications.

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