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CAS 66832-08-4

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Methyl 5-cyano-1H-pyrrole-3-carboxylate

Description:
Methyl 5-cyano-1H-pyrrole-3-carboxylate is an organic compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. This compound features a cyano group (-CN) and a carboxylate ester group (-COOCH3) attached to the pyrrole ring, contributing to its reactivity and potential applications in organic synthesis. The presence of the cyano group enhances its utility in various chemical reactions, including nucleophilic additions and cycloadditions. Methyl 5-cyano-1H-pyrrole-3-carboxylate is typically a solid at room temperature and may exhibit moderate solubility in polar organic solvents. Its chemical properties make it a valuable intermediate in the synthesis of pharmaceuticals and agrochemicals. Additionally, the compound's unique structure allows for potential applications in materials science and as a building block in the development of novel organic compounds. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.
Formula:C7H6N2O2
InChI:InChI=1S/C7H6N2O2/c1-11-7(10)5-2-6(3-8)9-4-5/h2,4,9H,1H3
InChI key:InChIKey=SRVXHSNUXNSQLY-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C=C(C#N)NC1
Synonyms:
  • Methyl 5-cyano-1H-pyrrole-3-carboxylate
  • 1H-Pyrrole-3-carboxylic acid, 5-cyano-, methyl ester
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