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3-(Trifluoromethyl)-1H-pyrazole-4-boronic acid pinacol ester

CAS 1218790-40-9C10H14BF3N2O2Chemical Synthesis

3-(Trifluoromethyl)-1H-pyrazole-4-boronic acid pinacol ester (CAS: 1218790-40-9; C10H14BF3N2O2; MW: 262.04) is a trifluoromethyl-substituted pyrazole boronate ester. This organoboron compound is primarily utilised as a building block in organic synthesis, particularly for cross-coupling reactions such as Suzuki-Miyaura couplings. Its structure makes it valuable for introducing the trifluoromethylpyrazole moiety into more complex molecules, finding applications in pharmaceutical research and the development of novel agrochemicals and materials.

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3-(Trifluoromethyl)-1H-pyrazole-4-boronic acid pinacol ester (C10H14BF3N2O2) — chemical structure, CAS 1218790-40-9; Chemistry, fine chemical supplied by Tech Serve Solutions
Boronate EstersBoronic AcidsChemical SynthesisHeteroaryl Boronate EstersHeteroaryl Boronic Acids
01 /Applications

Suzuki-Miyaura Cross-Coupling

This boronate ester serves as an effective coupling partner in palladium-catalysed Suzuki-Miyaura reactions. It enables the formation of carbon-carbon bonds by reacting with aryl or vinyl halides and pseudohalides, facilitating the synthesis of diverse biaryl and heteroaryl compounds.

Medicinal Chemistry Intermediate

The trifluoromethylpyrazole motif is of interest in medicinal chemistry due to its potential to modulate pharmacokinetic and pharmacodynamic properties. This ester is used to incorporate this feature into drug discovery programmes targeting various therapeutic areas.

Agrochemical Synthesis

Fluorinated heterocycles, including those derived from trifluoromethylpyrazoles, are explored for their potential in developing new pesticides and herbicides. This compound can be employed in the synthesis of novel agrochemical candidates.

Materials Science Research

The unique electronic properties imparted by the trifluoromethyl group and the pyrazole ring may be exploited in the development of advanced materials. This building block can be used in synthesising functional organic materials for electronic or optical applications.

02 /Properties
Molecular weight262.04
Empirical formulaC10H14BF3N2O2
Assay97%
Storage temperature2-8°C
Melting point151-155 °C
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H335May cause respiratory irritation

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P305IF IN EYES
Water hazard class (WGK, DE)1
Hazard codes (EU)Xi
Risk statements (R)36/37/38
Safety statements (S)26-36/37/39

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
1218790-40-9
MDL number
MFCD11501039
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is 3-(Trifluoromethyl)-1H-pyrazole-4-boronic acid pinacol ester used for?

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This compound is primarily used as a building block in organic synthesis, especially for Suzuki-Miyaura cross-coupling reactions, and finds applications in medicinal chemistry, agrochemical synthesis, and materials science research for introducing the trifluoromethylpyrazole moiety into complex molecules.

What are the CAS number and formula for this product?

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The CAS number is 1218790-40-9, and the empirical formula is C10H14BF3N2O2.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies this product with an assay of 97%. We do not represent it as USP, BP, EP, or any other pharmacopoeial grade.

What are the safety and handling considerations for this chemical?

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This compound is classified with GHS07 symbol and a Warning signal word. It carries hazard statements H315 (Causes skin irritation), H319 (Causes serious eye irritation), and H335 (May cause respiratory irritation). Handle with appropriate personal protective equipment, including gloves, eye protection, and respiratory protection if ventilation is inadequate. Store at 2-8°C.

How is this product packed, shipped, and exported?

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Tech Serve Solutions packs, ships, and exports fine chemicals and reagents globally, adhering to all necessary safety and regulatory requirements for international transport.

How can I request a sample or quote for this chemical?

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To request a sample or a quote, please contact the Tech Serve Solutions sales team through our website or by direct inquiry, providing the product name and CAS number.

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