CAS 1087792-37-7

3-Formyl-2,5-dimethyl-1H-pyrrole-1-acetonitrile

Description:

3-Formyl-2,5-dimethyl-1H-pyrrole-1-acetonitrile is an organic compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. This compound features a formyl group (-CHO) and an acetonitrile group (-C≡N) attached to the pyrrole, contributing to its reactivity and potential applications in organic synthesis. The presence of two methyl groups at the 2 and 5 positions of the pyrrole ring enhances its lipophilicity and may influence its electronic properties. The compound is likely to exhibit typical pyrrole reactivity, including electrophilic substitution and nucleophilic addition, making it a valuable intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its unique structure may also impart specific optical or electronic properties, which could be explored in materials science. As with many nitrogen-containing heterocycles, it may exhibit interesting biological activities, warranting further investigation in medicinal chemistry. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₉H₁₀N₂O

InChI: InChI=1S/C9H10N2O/c1-7-5-9(6-12)8(2)11(7)4-3-10/h5-6H,4H2,1-2H3

InChI key: InChIKey=DQYBGDNUCFYOCC-UHFFFAOYSA-N

SMILES: C(C#N)N1C(C)=C(C=O)C=C1C

Synonyms:

• 1H-Pyrrole-1-acetonitrile, 3-formyl-2,5-dimethyl-
• 3-Formyl-2,5-dimethyl-1H-pyrrole-1-acetonitrile