5,7-Dichloro-1H-pyrazolo[4,3-d]pyrimidine

Name: 5,7-Dichloro-1H-pyrazolo[4,3-d]pyrimidine
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1196157-42-2
Cat. No. CS-W007255
Purity≥97%
MDL No.MFCD09909759

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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5,7-Dichloro-1H-pyrazolo[4,3-d]pyrimidine|CS-W007255

Structure of 1196157-42-2

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General Information

CAS No. 1196157-42-2
Cat. No. CS-W007255
Purity ≥97%
MDL No. MFCD09909759
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₂Cl₂N₄
Molecular Weight 189.00
Synonym(s) None
SMILES ClC1=C(NN=C2)C2=NC(Cl)=N1

Description

5,7-Dichloro-1H-pyrazolo[4,3-d]pyrimidine is a bench-stable heterocyclic scaffold featuring two strategically positioned chlorine substituents that enhance electrophilic reactivity. This electron-deficient core integrates readily into medicinal chemistry campaigns, enabling efficient coupling in cross-coupling and nucleophilic substitution reactions. Its rigid, planar structure supports π-stacking interactions, making it valuable for kinase inhibitor design and fluorescent probe development.

Application

5,7-Dichloro-1H-pyrazolo[4,3-d]pyrimidine serves as a versatile building block for the synthesis of biologically active heterocycles. Its dichloro substitution pattern enables regioselective functionalization via palladium-catalyzed cross-coupling reactions, facilitating access to complex pyrazolo[4,3-d]pyrimidine scaffolds. The compound exhibits excellent bench stability and compatibility with standard reaction conditions, supporting efficient incorporation into medicinal chemistry campaigns and API development workflows.

Safety Information

Download SDS

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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Computational Chemistry Data

TPSA 54.46
LogP 1.6597
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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5,7-Dichloro-1H-pyrazolo[4,3-d]pyrimidine

CAS No. 1196157-42-2

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