(1-(tert-Butoxycarbonyl)-3,5-dimethyl-1H-pyrazol-4-yl)boronic acid

Name: (1-(tert-Butoxycarbonyl)-3,5-dimethyl-1H-pyrazol-4-yl)boronic acid
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CAS No. 947533-31-5
Cat. No. CS-W008509
Purity≥98%
MDL No.None

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(1-(tert-Butoxycarbonyl)-3,5-dimethyl-1H-pyrazol-4-yl)boronic acid|CS-W008509

Structure of 947533-31-5

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General Information

CAS No. 947533-31-5
Cat. No. CS-W008509
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₇BN₂O₄
Molecular Weight 240.06
Synonym(s) 1-tert-Butoxycarbonyl-1H-pyrazole-4-boronic acid
SMILES CC1=C(B(O)O)C(C)=NN1C(OC(C)(C)C)=O

Description

This boronate moiety integrates a tert-butyl carbamate-protected pyrazole core with two methyl groups at the 3 and 5 positions, delivering enhanced stability and solubility. The electron-rich pyrazole ring facilitates efficient Suzuki-Miyaura coupling under standard conditions, enabling rapid access to functionalized heterocycles in complex molecule synthesis.

Application

(1-(tert-Butoxycarbonyl)-3,5-dimethyl-1H-pyrazol-4-yl)boronic acid serves as a stable, bench-ready building block for palladium-catalyzed cross-coupling reactions. Its pyrazole core, protected with a tert-butyl carbamate group, enables orthogonal functionalization and facilitates purification. The boronic acid moiety reacts efficiently with aryl halides and triflates under standard Suzuki-Miyaura conditions, offering reliable access to substituted pyrazole scaffolds commonly found in medicinal chemistry and agrochemical research.

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 84.58
LogP -0.03706
H_Acceptors 6
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Boronic Acid And Its Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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(1-(tert-Butoxycarbonyl)-3,5-dimethyl-1H-pyrazol-4-yl)boronic acid

CAS No. 947533-31-5

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