(1-(Trifluoromethyl)-1H-pyrazol-4-yl)boronic acid

Name: (1-(Trifluoromethyl)-1H-pyrazol-4-yl)boronic acid
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CAS No. 2243753-57-1
Cat. No. CS-0623324
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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(1-(Trifluoromethyl)-1H-pyrazol-4-yl)boronic acid|CS-0623324

Structure of 2243753-57-1

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General Information

CAS No. 2243753-57-1
Cat. No. CS-0623324
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₄BF₃N₂O₂
Molecular Weight 179.89
Synonym(s) None
SMILES FC(F)(F)N1N=CC(B(O)O)=C1

Description

This trifluoromethylpyrazolyl boronic acid features a stable boronate moiety integrated into an electron-deficient pyrazole scaffold, enabling direct C–H borylation and efficient Suzuki-Miyaura coupling. The trifluoromethyl group enhances metabolic stability and modulates electronic properties, making this reagent ideal for constructing complex heterocyclic architectures in medicinal chemistry and materials science.

Application

(1-(Trifluoromethyl)-1H-pyrazol-4-yl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of trifluoromethyl-substituted biaryls and heterocycles. Its stability under ambient conditions and compatibility with diverse functional groups facilitate straightforward purification and integration into complex molecular architectures. This boronic acid functions effectively in late-stage diversification for medicinal chemistry and materials science applications.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 58.28
LogP -0.9608
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 1

Other Classifications

General Reagents Halogenating Reagents Fluorination Reagent

Chemical Synthesis Organometallic Reagents Organoboron Boronic Acids and Derivatives

Chemical Synthesis Synthetic Reagents Fluorination Reagents

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(1-(Trifluoromethyl)-1H-pyrazol-4-yl)boronic acid

CAS No. 2243753-57-1

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