tert-Butyl 3-bromo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate

Name: tert-Butyl 3-bromo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
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CAS No. 1196154-25-2
Cat. No. CS-0037076
Purity≥96%
MDL No.None

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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tert-Butyl 3-bromo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate|CS-0037076

Structure of 1196154-25-2

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General Information

CAS No. 1196154-25-2
Cat. No. CS-0037076
Purity ≥96%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₆BrN₃O₂
Molecular Weight 302.17
Synonym(s) Tert-butyl 3-bromo-6,7-dihydropyrazolo[1,5-A]pyrazine-5(4H)-carboxylate
SMILES CC(C)(C)OC(=O)N1CCN2C(=C(C=N2)Br)C1

Description

tert-Butyl 3-bromo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate features a brominated pyrazolopyrazine core with a tert-butyl ester handle, enabling direct incorporation into cross-coupling reactions. This bench-stable building block supports rapid access to complex heterocyclic scaffolds in medicinal chemistry and materials science applications.

Application

tert-Butyl 3-bromo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate serves as a versatile building block for the synthesis of pyrazolo[1,5-a]pyrazine-based scaffolds. Its bromo group enables palladium-catalyzed cross-coupling reactions, while the tert-butyl ester facilitates selective deprotection under mild acidic conditions. The molecule exhibits good bench stability and compatibility with diverse functional groups, enabling efficient access to complex heterocyclic architectures relevant to medicinal chemistry and materials science.

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

Quality Control

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Computational Chemistry Data

TPSA 47.36
LogP 2.3963
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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tert-Butyl 3-bromo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate

CAS No. 1196154-25-2

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