Description

4-Chloro-5-iodo-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester (CAS No. 1244855-76-2) is a high-purity heterocyclic building block designed for advanced pharmaceutical and agrochemical research. This compound, with the molecular formula C₁₁H₁₁ClIN₃O₂, features a pyrrolo[2,3-d]pyrimidine core functionalized with chloro, iodo, and tert-butyl ester groups, offering versatile reactivity for cross-coupling and derivatization reactions. Its well-defined structure (IUPAC name: tert-butyl 4-chloro-5-iodopyrrolo[2,3-d]pyrimidine-7-carboxylate) ensures precise integration into complex molecular architectures. Ideal for medicinal chemistry, this reagent is supplied with comprehensive analytical data (HPLC, NMR, MS) to guarantee batch-to-batch consistency. Store under inert conditions at -20°C to maintain stability.

Properties

• CAS Number: 1244855-76-2
• Complexity: 337
• IUPAC Name: tert-butyl 4-chloro-5-iodo-pyrrolo[2,3-d]pyrimidine-7-carboxylate
• InChI: InChI=1S/C11H11ClIN3O2/c1-11(2,3)18-10(17)16-4-6(13)7-8(12)14-5-15-9(7)16/h4-5H,1-3H3
• InChI Key: AGIMUTXQXSASMW-UHFFFAOYSA-N
• Exact Mass: 378.95845
• Molecular Formula: C11H11ClIN3O2
• Molecular Weight: 379.58
• SMILES: CC(C)(C)OC(=O)N1C=C(C2=C1N=CN=C2Cl)I
• Topological: 57
• Monoisotopic Mass: 378.95845
• Synonyms: 1244855-76-2, 4-Chloro-5-iodo-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester, tert-Butyl 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine-7-carboxylate, tert-butyl 4-chloro-5-iodopyrrolo[2,3-d]pyrimidine-7-carboxylate, C11H11ClIN3O2, MFCD20922795, SCHEMBL26811347, DTXSID60726214, NC44293, s10409, DS-014948, CS-0136792, A1-43884, 4-Chloro-5-iodo-pyrrolo[2,3-d]pyrimidine-7-carboxylicacidtert-butylester

Application

This iodinated pyrrolopyrimidine derivative serves as a key intermediate in the synthesis of kinase inhibitors and nucleotide analogs, particularly in oncology and antiviral drug discovery. Its reactive halogen sites enable efficient Suzuki-Miyaura and Sonogashira couplings for scaffold diversification. The tert-butyl ester moiety facilitates selective deprotection for downstream functionalization. Researchers utilize this compound to explore structure-activity relationships in ATP-competitive binding domains.

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