4,6-Dichloro-1H-pyrazolo[3,4-b]pyridine

Name: 4,6-Dichloro-1H-pyrazolo[3,4-b]pyridine
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CAS No. 2105905-46-0
Cat. No. CS-0047197
Purity≥97%
MDL No.None

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4,6-Dichloro-1H-pyrazolo[3,4-b]pyridine|CS-0047197

Structure of 2105905-46-0

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General Information

CAS No. 2105905-46-0
Cat. No. CS-0047197
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃Cl₂N₃
Molecular Weight 188.01
Synonym(s) None
SMILES ClC1=C2C(NN=C2)=NC(Cl)=C1

Description

4,6-Dichloro-1H-pyrazolo[3,4-b]pyridine is a heterocyclic scaffold featuring two chlorine substituents at electron-rich positions, enhancing its reactivity in cross-coupling and functionalization reactions. This bench-stable, moisture-tolerant core integrates readily into bioactive molecules and advanced materials, offering high compatibility with palladium-catalyzed transformations.

Application

4,6-Dichloro-1H-pyrazolo[3,4-b]pyridine serves as a versatile building block for constructing biologically relevant heterocyclic scaffolds. The dichloro substitution pattern enables efficient palladium-catalyzed cross-coupling reactions, facilitating the installation of diverse aryl and heteroaryl groups under mild conditions. Its bench-stable nature and compatibility with common protecting group strategies make it ideal for iterative synthesis in medicinal chemistry and process development workflows.

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-P280-P302+P352

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Computational Chemistry Data

TPSA 41.57
LogP 2.2647
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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4,6-Dichloro-1H-pyrazolo[3,4-b]pyridine

CAS No. 2105905-46-0

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