Description

4-Chloro-5-iodo-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine (CAS No. 213744-81-1) is a high-purity halogenated heterocyclic compound with the molecular formula C₉H₉ClIN₃. This specialized chemical features a pyrrolo[2,3-d]pyrimidine core substituted with chloro, iodo, and isopropyl functional groups, offering unique reactivity for nucleophilic aromatic substitution and cross-coupling reactions. With a molecular weight of 321.54 g/mol, it is supplied as an off-white to light yellow crystalline powder with ≥95% purity (HPLC). Ideal for pharmaceutical intermediates, kinase inhibitor research, and medicinal chemistry applications, this compound is packaged under inert gas to ensure stability. Store at 2-8°C in a tightly sealed container protected from light and moisture.

Properties

• CAS Number: 213744-81-1
• Complexity: 214
• IUPAC Name: 4-chloro-5-iodo-7-isopropyl-pyrrolo[2,3-d]pyrimidine
• InChI: InChI=1S/C9H9ClIN3/c1-5(2)14-3-6(11)7-8(10)12-4-13-9(7)14/h3-5H,1-2H3
• InChI Key: KJHYDYATVCGFKG-UHFFFAOYSA-N
• Exact Mass: 320.95297
• Molecular Formula: C9H9ClIN3
• Molecular Weight: 321.54
• SMILES: CC(C)N1C=C(C2=C1N=CN=C2Cl)I
• Topological: 30.7
• Monoisotopic Mass: 320.95297
• Synonyms: 213744-81-1, 4-chloro-5-iodo-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine, 4-Chloro-5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidine, 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-iodo-7-(1-methylethyl)-, 4-Chloro-5-iodo-7-isopropyl-pyrrolo[2,3-d]pyrimidine, MFCD12405995, 4-Chloro-5-iodo-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine, SCHEMBL407871, DTXSID80598930, KJHYDYATVCGFKG-UHFFFAOYSA-N, AKOS015918656, BS-41869, DA-39608, SY125546, CS-0037539, W10451, 4-chloro-5-iodo-7-isopropylpyrrolo-[2,3-d]pyrimidine, 4-chloro-5-iodo-7-isopropylpyrrolo[2,3-d]pyrimidine, 4-Chloro-5-iodo-7-isopropyl-pyrrolo[2,3-d]-pyrimidine

Application

This compound serves as a versatile building block in medicinal chemistry, particularly for the synthesis of kinase inhibitors and ATP-competitive small molecules. Researchers utilize its reactive halogen sites for Suzuki-Miyaura or Buchwald-Hartwig couplings to create diverse pyrrolopyrimidine derivatives. The isopropyl group enhances lipophilicity, making it valuable for drug discovery targeting cancer and inflammatory diseases. It is also employed in structure-activity relationship (SAR) studies due to its modifiable scaffold.

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