tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate

Name: tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate
Brand: ChemScene
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CAS No. 877399-50-3
Cat. No. CS-M0354
Purity≥97%
MDL No.MFCD09831980

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate|CS-M0354

Structure of 877399-50-3

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Description

tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate features a brominated pyrazole moiety linked to a piperidine scaffold, enabling direct incorporation into diverse synthetic scaffolds. The tert-butyl ester group offers enhanced stability and ease of deprotection under mild acidic conditions. This compound serves as a key intermediate in medicinal chemistry for constructing bioactive molecules with targeted pharmacological profiles.

Application

tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate serves as a versatile building block for the synthesis of pyrazole-containing pharmaceutical intermediates. The bromo group enables palladium-catalyzed cross-coupling reactions, while the piperidine scaffold provides a rigid, basic nitrogen framework suitable for medicinal chemistry optimization. The tert-butyl carbamate offers excellent bench stability and facilitates straightforward deprotection under mild acidic conditions.

General Information

CAS No. 877399-50-3
Cat. No. CS-M0354
Purity ≥97%
MDL No. MFCD09831980
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₂₀BrN₃O₂
Molecular Weight 330.22
Synonym(s) 4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylic Acid tert-Butyl Ester
SMILES O=C(OC(C)(C)C)N1CCC(CC1)N2N=CC(Br)=C2

Computational Chemistry Data

TPSA 47.36
LogP 3.2176
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 1

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Key Words

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tert-Butyl 4-(4-bromo-1H-pyrazol-1-yl)piperidine-1-carboxylate

CAS No. 877399-50-3

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