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4-Chloro-1H-pyrazolo[3,4-d]pyrimidine(CAS#5399-92-8)

Chemical Property:

Molecular Formula C5H3ClN4
Molar Mass 154.56
Density 1.84±0.1 g/cm3(Predicted)
Melting Point >350?C
Boling Point 224.6±50.0 °C(Predicted)
Flash Point 258.2°C
Solubility DMSO (Slightly), Methanol (Slightly, Sonicated)
Vapor Presure 7.5E-08mmHg at 25°C
Appearance Solid
Color Yellow to Orange
pKa 10.16±0.20(Predicted)
Storage Condition Inert atmosphere,Store in freezer, under -20°C
Refractive Index 1.739

Product Detail

Product Tags

HS Code 29335990
Hazard Note Harmful
Hazard Class IRRITANT

 

Introduction

4-Chloro-1H-pyrazolo[3,4-d]pyrimidine is an organic compound with the chemical formula C5H2ClN5. The following is a description of its nature, use, formulation and safety information:

 

Nature:

4-Chloro-1H-pyrazolo[3,4-d]pyrimidine is a white crystalline solid, soluble in organic solvents such as chloroform and dimethyl sulfoxide. It decomposes at high temperatures and can undergo violent reactions, so it needs to be treated under cooling conditions.

 

Use:

4-Chloro-1H-pyrazolo[3,4-d]pyrimidine is widely used in organic synthesis, especially in the field of drug synthesis. It is an important intermediate for the synthesis of various pyrazolo [3,4-d] pyrimidine derivatives, which have antitumor, antiviral and antibacterial activities.

 

Preparation Method:

4-Chloro-1H-pyrazolo[3,4-d]pyrimidine was synthesized by a multi-step reaction starting from 4-chloro-pyrimidine. The specific method will vary according to the needs and conditions of the laboratory, generally including catalytic hydrogenation, azide treatment, hydrogenation reduction and other steps.

 

Safety Information:

4-Chloro-1H-pyrazolo[3,4-d]pyrimidine can be used relatively safely under correct operating conditions. However, it is an organic compound and requires appropriate protective measures, such as wearing laboratory gloves, eye and respiratory protection equipment. In addition, it should avoid contact with oxidants and strong acids to prevent unsafe chemical reactions. During handling and storage, relevant safe operating procedures shall be followed. If ingested or inhaled, seek medical attention immediately.

Application
4-Chloro-1H-pyrazolo[3,4-d]pyrimidine (CAS 5399-92-8) is a versatile heterocyclic building block widely used in medicinal chemistry and drug discovery. As a purine bioisostere, its fused pyrazole-pyrimidine core with a reactive chlorine at the 4-position enables selective nucleophilic substitution and cross-coupling reactions. This scaffold is essential for developing potent kinase inhibitors targeting cancer (e.g., PI3K, mTOR, CDK), inflammatory diseases, and viral infections. The chlorine atom allows late-stage diversification to explore structure-activity relationships. It also serves as an intermediate for synthesizing antiviral agents, anti-inflammatory drugs, and agrochemicals. High purity ensures reproducibility in high-throughput screening and scalable pharmaceutical synthesis. Xinchem offers custom synthesis, custom chemical synthesis, and contract manufacturing of this key intermediate with flexible scaling from R&D to commercial tons. Contact us today for a competitive quote and reliable global supply.


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