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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 Overview of 1-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)ethanone (CAS No. 946658-56-6): Properties, Applications, and Industry Insights

1-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)ethanone, with the CAS number 946658-56-6, is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This pyrazole derivative is characterized by its unique molecular structure, combining an ethyl-methyl-substituted pyrazole ring with an acetyl functional group. Its chemical formula C8H12N2O and molecular weight of 152.19 g/mol make it a versatile intermediate in synthetic chemistry. Recent studies highlight its potential as a key building block for bioactive molecules, particularly in the development of crop protection agents and pharmaceutical precursors.

The compound's physicochemical properties include a moderate solubility in polar organic solvents like ethanol and acetone, while being less soluble in water. Its melting point range of 45-48°C and boiling point of approximately 245°C make it suitable for various synthetic processes. Researchers have particularly focused on its reactivity at the carbonyl group, which allows for diverse chemical transformations. In the context of green chemistry trends, there's growing interest in optimizing its synthesis to reduce environmental impact, aligning with the industry's shift toward sustainable manufacturing practices.

From an application perspective, 1-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)ethanone serves as a critical intermediate in the synthesis of heterocyclic compounds with potential biological activity. Its structural motif appears in several patented drug candidates targeting metabolic disorders, reflecting the pharmaceutical industry's demand for novel small molecule scaffolds. The agrochemical sector values this compound for developing next-generation pesticides with improved selectivity and reduced ecological toxicity. These applications respond to the market need for high-efficiency crop solutions amid global food security challenges.

Analytical characterization of CAS 946658-56-6 typically involves HPLC purity analysis, GC-MS identification, and NMR spectral confirmation. Advanced techniques like X-ray crystallography have been employed to determine its precise molecular configuration. Quality control protocols emphasize maintaining high purity levels (>98%) to ensure consistent performance in downstream applications. The compound's stability profile under various storage conditions has been extensively documented, with recommendations for ambient temperature storage in airtight containers protected from moisture.

Market analysts note increasing demand for specialty pyrazole derivatives like 1-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)ethanone, driven by expansion in contract research organizations and custom synthesis services. The compound's supply chain dynamics reflect broader trends in fine chemicals distribution, with emphasis on reliable sourcing and regulatory compliance. Recent technological advancements in flow chemistry and catalytic processes have improved production efficiency, addressing the industry's need for cost-effective intermediates.

Future research directions for 946658-56-6 include exploring its potential in material science applications, particularly as a precursor for functional polymers and coordination complexes. The scientific community continues to investigate its structure-activity relationships to unlock new therapeutic possibilities. With the growing importance of computational chemistry in drug discovery, this compound serves as an interesting case study for molecular docking simulations and QSAR modeling.

From a regulatory standpoint, 1-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)ethanone is generally classified as a research chemical with specific handling guidelines. Material Safety Data Sheets provide detailed information about proper laboratory practices and personal protective equipment requirements. The compound's environmental fate and biodegradation pathways are subjects of ongoing ecological impact assessments, particularly relevant to green chemistry initiatives and REACH compliance in the European market.

The commercial availability of CAS 946658-56-6 through specialty chemical suppliers has increased significantly, with options ranging from gram-scale quantities for research to kilogram batches for industrial applications. Pricing trends reflect the compound's manufacturing complexity and purity specifications, with competitive sourcing strategies becoming increasingly important for end-users. The development of alternative synthetic routes continues to be an active area of process chemistry research, aiming to improve yield and reduce production costs.

• 90565-37-0(1-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethanone)
• 52773-23-6(1-(1,3-dimethylpyrazol-4-yl)ethanone)
• 676348-38-2(1-Ethyl-3-methyl-1H-pyrazole-4-carbaldehyde)
• 933778-28-0(3-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde)
• 946658-63-5(1-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)ethanone)
• 5078-59-1(1-[1-(2-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]-Ethanone)
• 933454-80-9(1-(3-Methyl-1-propyl-1H-pyrazol-4-yl)ethanone)
• 956951-04-5(1-(5-Methyl-1-propyl-1H-pyrazol-4-yl)ethanone)
• 1177321-94-6(1-(2-Hydroxyethyl)-3-methyl-1H-pyrazole-4-carbaldehyde)
• 105223-84-5(1-[1-(2-hydroxyethyl)-3-methyl-1H-pyrazol-4-yl]-Ethanone)