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CAS 1244855-76-2

:

1,1-Dimethylethyl 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine-7-carboxylate

Description:
1,1-Dimethylethyl 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine-7-carboxylate, with the CAS number 1244855-76-2, is a chemical compound that belongs to the class of pyrrolopyrimidines, which are heterocyclic compounds featuring both pyrrole and pyrimidine rings. This substance is characterized by the presence of a carboxylate functional group, which contributes to its potential reactivity and solubility properties. The presence of halogen substituents, specifically chlorine and iodine, can influence its biological activity and stability, making it of interest in medicinal chemistry and drug development. The tert-butyl group (1,1-dimethylethyl) enhances lipophilicity, potentially affecting the compound's pharmacokinetics. Additionally, the structural complexity of this compound may lead to unique interactions with biological targets, which could be explored for therapeutic applications. Overall, its unique combination of functional groups and structural features makes it a compound of interest for further research in various chemical and pharmaceutical contexts.
Formula:C11H11ClIN3O2
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:InChIKey=AGIMUTXQXSASMW-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(I)=C1)=C(Cl)N=CN2
Synonyms:
  • 7H-Pyrrolo[2,3-d]pyrimidine-7-carboxylic acid, 4-chloro-5-iodo-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine-7-carboxylate
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