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CAS 853058-42-1

:

5H-Pyrrolo[3,2-d]pyrimidine-7-carboxylic acid, 4-chloro-, ethyl ester

Description:
5H-Pyrrolo[3,2-d]pyrimidine-7-carboxylic acid, 4-chloro-, ethyl ester, identified by CAS number 853058-42-1, is a chemical compound that belongs to the class of pyrrolopyrimidines. This compound features a pyrrolopyrimidine core structure, which is characterized by a fused pyrrole and pyrimidine ring system. The presence of a carboxylic acid group and an ethyl ester moiety indicates that it has both acidic and ester functionalities, which can influence its reactivity and solubility. The 4-chloro substituent on the pyrimidine ring may impart specific electronic properties, potentially affecting its biological activity and interactions with other molecules. Such compounds are often of interest in medicinal chemistry due to their potential pharmacological properties, including anti-cancer and anti-inflammatory activities. The structural characteristics suggest that it may participate in various chemical reactions, including esterification and nucleophilic substitutions, making it a versatile compound for further chemical synthesis and research applications.
Formula:C9H8ClN3O2
InChI:InChI=1S/C9H8ClN3O2/c1-2-15-9(14)5-3-11-7-6(5)12-4-13-8(7)10/h3-4,11H,2H2,1H3
InChI key:InChIKey=RJYXGAURZSGDON-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C=2C(NC1)=C(Cl)N=CN2
Synonyms:
  • Ethyl 4-chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
  • 4-Chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester
  • 5H-Pyrrolo[3,2-d]pyrimidine-7-carboxylic acid, 4-chloro-, ethyl ester
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