Understanding the Chemical Properties of Ethyl 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate
For any chemist or formulator working with specific chemical compounds, a deep understanding of their physical and chemical properties is foundational to successful application. Ethyl 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate (CAS 141573-95-7) is no exception. This fine chemical intermediate, widely utilized in the agrochemical industry, possesses a unique set of characteristics that dictate its handling, reactivity, and ultimate utility in synthesis.
From a physical standpoint, Ethyl 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate typically presents as a white to almost white powder or crystalline solid. Its melting point, often cited in the range of 58-59 °C, indicates its solid state at standard room temperatures. The predicted boiling point of approximately 288.4 °C suggests a relatively low volatility under normal conditions, making it easier to handle and store compared to more volatile liquids. Its density, around 1.30 g/cm³, is also a standard characteristic for such organic molecules.
Chemically, the molecule's structure is key to its reactivity. The pyrazole ring system, a five-membered heterocyclic aromatic ring containing two adjacent nitrogen atoms, provides a stable core. The presence of the difluoromethyl (-CF2H) group is particularly significant. Fluorine atoms are highly electronegative, influencing the electron distribution within the molecule and often imparting increased lipophilicity and metabolic stability to derivatives. This makes it a valuable motif for designing biologically active compounds.
The ethyl ester functional group (-COOCH2CH3) is another reactive site. Esters are known for their susceptibility to hydrolysis under acidic or basic conditions, yielding the corresponding carboxylic acid and ethanol. This reactivity can be exploited in various synthetic transformations, such as transesterification or conversion to amides, which is directly relevant to its use in preparing pyrazolecarboxamide fungicides. The methyl group attached to one of the nitrogen atoms on the pyrazole ring influences the electronic properties and steric environment of the heterocycle.
Solubility is another critical property. Ethyl 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate is generally soluble in common organic solvents like methanol, which is advantageous for many synthesis and purification processes. Its water solubility, though moderate (around 4.63 g/L at 22°C), is also a factor to consider in formulation and environmental fate assessments.
For procurement managers and R&D scientists looking to buy this intermediate, understanding these properties is essential for project planning, process optimization, and ensuring safe handling. When sourcing from a reliable manufacturer in China, detailed technical data sheets and safety information are typically provided, further aiding in the effective utilization of Ethyl 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate.
Perspectives & Insights
Silicon Analyst 88
“This fine chemical intermediate, widely utilized in the agrochemical industry, possesses a unique set of characteristics that dictate its handling, reactivity, and ultimate utility in synthesis.”
Quantum Seeker Pro
“From a physical standpoint, Ethyl 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate typically presents as a white to almost white powder or crystalline solid.”
Bio Reader 7
“Its melting point, often cited in the range of 58-59 °C, indicates its solid state at standard room temperatures.”