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CAS 1011716-97-4

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Methyl 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate

Description:
Methyl 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate is a chemical compound characterized by its complex structure, which includes a pyrrolopyrimidine moiety and a benzoate group. This compound typically exhibits properties associated with heterocyclic compounds, such as potential biological activity, which may include antimicrobial or anticancer effects, although specific biological activities would depend on further empirical studies. The presence of the methyl ester functional group suggests it may have moderate solubility in organic solvents and could participate in various chemical reactions, including hydrolysis. Its molecular structure indicates that it may engage in hydrogen bonding and π-π interactions, influencing its reactivity and interactions with biological targets. As with many heterocycles, it may also exhibit fluorescence or other photophysical properties. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity. Further characterization through techniques such as NMR, IR spectroscopy, and mass spectrometry would provide additional insights into its properties and potential applications.
Formula:C14H11N3O3
InChI:InChI=1S/C14H11N3O3/c1-20-14(19)9-4-2-8(3-5-9)11-6-10-12(17-11)15-7-16-13(10)18/h2-7H,1H3,(H2,15,16,17,18)
InChI key:InChIKey=XUUPVSZFBSJLBC-UHFFFAOYSA-N
SMILES:O=C1C=2C=C(NC2NC=N1)C3=CC=C(C(OC)=O)C=C3
Synonyms:
  • Methyl 4-(4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate
  • Benzoic acid, 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-, methyl ester
  • Methyl 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate
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