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  Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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• Solvents and Organic Chemicals Organic Compounds Organic oxygen compounds Organooxygen compounds Ketones
• Solvents and Organic Chemicals Organic Compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Ketones

Comprehensive Guide to 1-(4-chloro-1-methyl-1H-pyrazol-3-yl)ethan-1-one (CAS No. 1004194-08-4): Properties, Applications, and Market Insights

1-(4-chloro-1-methyl-1H-pyrazol-3-yl)ethan-1-one (CAS 1004194-08-4) is a specialized heterocyclic compound gaining attention in pharmaceutical and agrochemical research. This pyrazole derivative features a chloro-substituted methyl group at the 4-position and an acetyl functional group, making it a versatile building block for synthetic applications. Researchers are increasingly exploring its potential as a key intermediate in drug discovery and crop protection formulations.

The compound's molecular structure (C₆H₇ClN₂O) demonstrates unique electronic properties that contribute to its reactivity. With a molecular weight of 158.59 g/mol, this crystalline solid typically appears as white to off-white powder with moderate solubility in common organic solvents. Its stability under various conditions makes it particularly valuable for multi-step synthesis processes in medicinal chemistry.

Recent studies highlight the growing importance of 1-(4-chloro-1-methyl-1H-pyrazol-3-yl)ethan-1-one in developing targeted therapies. The pharmaceutical industry utilizes this compound as a precursor for kinase inhibitors and anti-inflammatory agents. Its structural motif appears in several patented drug candidates currently in clinical trials, particularly for autoimmune disorders and metabolic diseases. The chloro-pyrazole moiety enhances binding affinity to biological targets while maintaining favorable pharmacokinetic properties.

In agrochemical applications, CAS 1004194-08-4 serves as a critical intermediate for novel pesticide formulations. Manufacturers incorporate this compound into systemic insecticides and fungicides that demonstrate improved environmental profiles compared to traditional products. The 4-chloro-1-methylpyrazole structure contributes to enhanced plant mobility and rainfastness, addressing current demands for sustainable crop protection solutions.

The global market for 1-(4-chloro-1-methyl-1H-pyrazol-3-yl)ethanone reflects increasing demand from both pharmaceutical and agricultural sectors. Market analysts project steady growth at 6-8% CAGR through 2028, driven by expanding R&D budgets and the need for innovative chemical entities. Major producers are scaling up capacity in Asia-Pacific regions, with China and India emerging as key suppliers of this high-purity intermediate.

Quality specifications for 1004194-08-4 typically require ≥98% purity by HPLC analysis, with strict controls on residual solvents and heavy metals. Advanced analytical techniques including NMR spectroscopy and mass spectrometry ensure batch-to-batch consistency. Storage recommendations suggest keeping the material in airtight containers at 2-8°C to maintain stability, with a typical shelf life of 24 months under proper conditions.

Synthetic routes to 1-(4-chloro-1-methyl-1H-pyrazol-3-yl)ethan-1-one often begin with chlorination of commercially available pyrazole precursors. Process chemists have developed optimized protocols that maximize yield while minimizing environmental impact, aligning with green chemistry principles. Recent patent literature describes improved catalytic systems for the selective introduction of the acetyl group at the 3-position.

Regulatory status of CAS 1004194-08-4 varies by region, with most jurisdictions classifying it as a standard research chemical. Proper handling requires standard laboratory precautions including personal protective equipment. Material Safety Data Sheets provide detailed guidance on safe handling procedures, first aid measures, and proper disposal methods in compliance with local regulations.

Emerging research explores novel derivatives of 1-(4-chloro-1-methyl-1H-pyrazol-3-yl)ethanone for diverse applications. Scientists are investigating modified versions with fluorinated substituents or extended conjugation systems for specialized applications in material science and organic electronics. These developments position the compound as a valuable scaffold for interdisciplinary research.

For researchers sourcing 1004194-08-4, quality verification through comprehensive analytical data is essential. Reputable suppliers provide certificates of analysis including HPLC chromatograms, 1H/13C NMR spectra, and moisture content specifications. Custom synthesis options are available for projects requiring specific isotopic labeling or gram-scale quantities of this versatile intermediate.

• 170486-71-2(Methanone, bis(1-methyl-1H-pyrazol-3-yl)-)
• 1006482-78-5(1-(4-chloro-1-methyl-1H-pyrazol-5-yl)ethan-1-one)
• 1306610-19-4(4-chloro-1,5-dimethyl-1H-pyrazole-3-carbaldehyde)
• 1005583-83-4(4-chloro-1-ethyl-1H-pyrazole-3-carbaldehyde)
• 175204-81-6(4-Chloro-1-methyl-1H-pyrazole-3-carbaldehyde)
• 1006434-27-0(1-(4-chloro-1-ethyl-1H-pyrazol-3-yl)ethan-1-one)
• 2068151-92-6(2-Bromo-1-(4-chloro-1-methyl-1H-pyrazol-3-yl)ethanone)
• 1511250-62-6(1H-Pyrazole, 4-chloro-3-(1,1-dimethylethyl)-1-methyl- )
• 1006482-81-0(1-(4-chloro-1-ethyl-1H-pyrazol-5-yl)ethan-1-one)
• 137890-04-1(1-(1-methyl-1H-pyrazol-3-yl)ethan-1-one)