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CAS 7126-44-5

:

ethyl 3-cyano-1H-pyrrole-2-carboxylate

Description:
Ethyl 3-cyano-1H-pyrrole-2-carboxylate, with the CAS number 7126-44-5, is a chemical compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. This compound features a cyano group (-CN) and an ethyl ester functional group, contributing to its reactivity and potential applications in organic synthesis. It is typically a colorless to pale yellow liquid or solid, depending on its purity and form. Ethyl 3-cyano-1H-pyrrole-2-carboxylate is known for its role in various chemical reactions, including nucleophilic substitutions and cycloadditions, making it valuable in the synthesis of pharmaceuticals and agrochemicals. The presence of both the cyano and carboxylate groups enhances its versatility in forming derivatives. Additionally, it may exhibit biological activity, although specific biological properties would require further investigation. As with many organic compounds, proper handling and safety precautions are essential due to potential toxicity and reactivity.
Formula:C8H8N2O2
InChI:InChI=1/C8H8N2O2/c1-2-12-8(11)7-6(5-9)3-4-10-7/h3-4,10H,2H2,1H3
InChI key:InChIKey=OSBMXQIJLZOLET-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(C#N)C=CN1
Synonyms:
  • 1H-pyrrole-2-carboxylic acid, 3-cyano-, ethyl ester
  • Pyrrole-2-carboxylic acid, 3-cyano-, ethyl ester
  • Ethyl 3-cyano-1H-pyrrole-2-carboxylate
  • 3-Cyano-1H-pyrrole-2-carboxylic acid ethyl ester
  • Ethyl 3-Cyanopyrrole-2-carboxylate
  • 1H-Pyrrole-2-carboxylicacid,3-cyano-,ethylester(9CI)
  • 3-Cyan-2-pyrrolcarbonsaeure-ethylester
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