tert-Butyl 1H-pyrazole-1-carboxylate

Name: tert-Butyl 1H-pyrazole-1-carboxylate
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CAS No. 219580-32-2
Cat. No. CS-W002695
Purity≥97%
MDL No.MFCD00800729

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FedEx Limited Quantities Ground	$0.00
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tert-Butyl 1H-pyrazole-1-carboxylate|CS-W002695

Structure of 219580-32-2

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Description

tert-Butyl 1H-pyrazole-1-carboxylate serves as a stable, bench-ready building block for constructing pyrazole-based scaffolds in medicinal chemistry and materials science. The tert-butyl ester group enables straightforward deprotection under mild acidic conditions, while the pyrazole core offers versatile reactivity for transition metal-catalyzed couplings and functionalization.

Application

tert-Butyl 1H-pyrazole-1-carboxylate serves as a stable, bench-ready building block for the synthesis of pyrazole-containing scaffolds. Its tert-butyl carbamate group enables straightforward deprotection under mild acidic conditions, while the pyrazole ring participates reliably in palladium-catalyzed couplings and electrophilic functionalizations. This compound facilitates efficient access to diverse heterocyclic architectures relevant to medicinal chemistry and agrochemical research.

General Information

CAS No. 219580-32-2
Cat. No. CS-W002695
Purity ≥97%
MDL No. MFCD00800729
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₂N₂O₂
Molecular Weight 168.19
Synonym(s) 1-Boc-pyrazole
SMILES CC(C)(OC(N1C=CC=N1)=O)C

Computational Chemistry Data

TPSA 44.12
LogP 1.6663
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 0

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 : H302
Precautionary Statements : P264-P270-P330-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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tert-Butyl 1H-pyrazole-1-carboxylate

CAS No. 219580-32-2

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