4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine

Name: 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine
Brand: ChemScene
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CAS No. 42754-96-1
Cat. No. CS-W008775
Purity≥97%
MDL No.MFCD09835493

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine|CS-W008775

Structure of 42754-96-1

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General Information

CAS No. 42754-96-1
Cat. No. CS-W008775
Purity ≥97%
MDL No. MFCD09835493
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) 4,6-Dichloropyrazolo[3,4-d] Pyrimidine
SMILES ClC1=NC(Cl)=C2C(NN=C2)=N1

Description

4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine is a heterocyclic scaffold featuring two chlorine substituents at electron-deficient positions, enabling efficient coupling in transition-metal-catalyzed reactions. This bench-stable core integrates readily into kinase inhibitors and nucleoside analogs, offering high reactivity under standard conditions.

Application

4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine serves as a versatile building block for the synthesis of biologically active heterocycles, enabling efficient late-stage functionalization via palladium-catalyzed cross-coupling reactions. Its dual chloro substituents offer orthogonal reactivity, facilitating sequential derivatization while maintaining bench stability and ease of purification. Functions effectively in the construction of kinase inhibitor scaffolds and other pharmaceutical intermediates.

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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4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine

CAS No. 42754-96-1

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