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ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate(CAS#144927-57-1)

Chemical Property:

Molecular Formula C9H8ClN3O2
Molar Mass 225.63
Density 1.53±0.1 g/cm3(Predicted)
Melting Point 140-141 °C
Boling Point 320.5±52.0 °C(Predicted)
Flash Point 193.933°C
Vapor Presure 0mmHg at 25°C
pKa 9.72±0.20(Predicted)
Storage Condition under inert gas (nitrogen or Argon) at 2-8°C
Refractive Index 1.644

Product Detail

Product Tags

ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate(CAS#144927-57-1)

Uses: It is an important intermediate in organic synthesis and has potential applications in the field of medicinal chemistry. It may be used to synthesize biologically active pyrrolopyrimidine drug molecules, and the chlorine atoms, ester groups and pyrrolopyrimidine rings in their structures can be modified by various chemical reactions, so as to introduce different pharmacophores to obtain compounds with specific pharmacological effects, such as drugs with antibacterial, antiviral, antitumor and other activities.
Synthesis method: Diethyl malonate is usually used as the starting material, and is synthesized through multi-step reaction. For example, diethyl malonate is first condensed with the corresponding nitrogen-containing heterocyclic compounds, and then the target product is obtained through chlorination, cyclization and other steps. However, the specific synthesis route may vary depending on the raw material and reaction conditions.

Application
Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate (CAS 144927-57-1) is a functionalized heterocyclic building block featuring a pyrrolo[2,3-d]pyrimidine core with a chlorine atom at position 4 and an ethyl ester at position 5. This scaffold serves as a versatile intermediate in medicinal chemistry for the synthesis of kinase inhibitors targeting cancer, inflammation, and autoimmune diseases (e.g., JAK, BTK, CDK, and TBK1 inhibitors). The chlorine enables nucleophilic aromatic substitution and cross-coupling reactions (Suzuki, Buchwald-Hartwig, Sonogashira) for late-stage diversification, while the ester group allows hydrolysis to carboxylic acid for amide conjugation or reduction to alcohol. As a purine bioisostere, it facilitates structure-activity relationship studies and the construction of drug-like libraries. High purity ensures reproducible results in high-throughput screening and scalable pharmaceutical synthesis. Xinchem offers custom synthesis, custom chemical synthesis, and contract manufacturing of this 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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