4-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine

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

CAS No. 23000-43-3
Cat. No. CS-W018697
Purity≥95%
MDL No.MFCD00661967

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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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4-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine|CS-W018697

Structure of 23000-43-3

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Description

4-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine is a heterocyclic building block featuring a chlorinated pyrazolopyrimidine core. This electron-deficient scaffold enables direct incorporation into kinase inhibitors and pharmaceutical intermediates, offering enhanced reactivity in cross-coupling transformations under mild conditions.

Application

4-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine serves as a versatile building block for medicinal chemistry and agrochemical synthesis, enabling efficient construction of heterocyclic scaffolds via palladium-catalyzed cross-coupling reactions. Its electrophilic chlorine atom facilitates reliable functionalization under mild conditions, while the methylated pyrazolopyrimidine core exhibits excellent bench stability and compatibility with diverse reaction environments.

General Information

CAS No. 23000-43-3
Cat. No. CS-W018697
Purity ≥95%
MDL No. MFCD00661967
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₅ClN₄
Molecular Weight 168.58
Synonym(s) 4-Chloro-1-methylpyrazolo[3,4-d]pyrimidine
SMILES CN1N=CC2=C(Cl)N=CN=C21

Computational Chemistry Data

TPSA 43.6
LogP 1.0167
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 0

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 Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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4-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine

CAS No. 23000-43-3

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