1-Methyl-3-(trifluoromethyl)-4-(chloromethyl)-5-(difluoromethoxy)-1H-pyrazole CAS 656825-76-2

1-Methyl-3-(trifluoromethyl)-4-(chloromethyl)-5-(difluoromethoxy)-1H-pyrazole

CAS Number: 656825-76-2

Description

1-Methyl-3-(trifluoromethyl)-4-(chloromethyl)-5-(difluoromethoxy)-1H-pyrazole is a highly substituted pyrazole derivative. This complex organic molecule features a 1-methylpyrazole core with several key functional groups: a trifluoromethyl group at the 3-position, a chloromethyl group at the 4-position, and a difluoromethoxy group at the 5-position. The presence of multiple halogenated substituents (trifluoromethyl, chloromethyl, difluoromethoxy) significantly influences its chemical reactivity and physical properties, often enhancing lipophilicity, metabolic stability, or binding affinity in biological systems. It is typically synthesized as a specialty chemical intermediate for research and development purposes, particularly in the creation of novel agrochemicals and potentially pharmaceuticals. Its multifaceted structure allows for diverse chemical modifications, making it a versatile building block.

Properties

Property	Value
Chemical Name	1-Methyl-3-(trifluoromethyl)-4-(chloromethyl)-5-(difluoromethoxy)-1H-pyrazole
CAS Number	656825-76-2
Molecular Formula	C8H7ClF5N2O
Molecular Weight	304.60 g/mol
Appearance	Typically an off-white to pale yellow solid or oil (may vary based on purity)
Purity	≥97% (typical for research/intermediate grade)
Melting Point	Not readily available; may be an oil at room temperature or have a relatively low melting point
Boiling Point	Not readily available; likely decomposes at high temperatures
Solubility	Expected to be soluble in common organic solvents (e.g., dichloromethane, acetone, ethyl acetate). Limited solubility in water.
Stability	Store in a cool, dry, dark place under an inert atmosphere for optimal stability. Sensitive to moisture and strong oxidizing agents.

Usage

1-Methyl-3-(trifluoromethyl)-4-(chloromethyl)-5-(difluoromethoxy)-1H-pyrazole is primarily used as a specialized building block and intermediate in organic synthesis. Its applications are concentrated in:

• Agrochemical Research and Development: This compound serves as a key precursor for synthesizing new and advanced pesticides, particularly fungicides and insecticides. The unique combination of fluoroalkyl and chloroalkyl groups on the pyrazole scaffold is a common motif in potent agrochemicals, contributing to their biological activity and spectrum.
• Pharmaceutical Intermediate: While less common than in agrochemicals, it may be explored in medicinal chemistry for creating novel drug candidates. The pyrazole core and its substituents can be tailored to interact with specific biological targets.
• Chemical Synthesis: Used by researchers to develop new synthetic methodologies or to create novel compounds with unique properties for material science or other specialized applications. The reactive chloromethyl group allows for further derivatization.

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