CAS 885957-05-1

1-(Phenylmethyl)-3,4-pyrrolidinedicarbonitrile

Description:

1-(Phenylmethyl)-3,4-pyrrolidinedicarbonitrile, identified by its CAS number 885957-05-1, is a chemical compound characterized by its unique structure, which includes a pyrrolidine ring substituted with phenylmethyl and two cyano groups. This compound typically exhibits properties associated with both organic nitriles and cyclic amines, such as moderate polarity and potential solubility in organic solvents. The presence of the cyano groups contributes to its reactivity, making it a candidate for various chemical transformations. Additionally, the phenylmethyl group can influence the compound's interaction with biological systems, potentially affecting its pharmacological properties. As with many nitriles, it may exhibit toxicity and should be handled with care in laboratory settings. The compound's specific applications and behavior in chemical reactions would depend on its functional groups and overall molecular structure, making it of interest in fields such as medicinal chemistry and materials science. Further studies would be necessary to fully elucidate its properties and potential uses.

Formula: C₁₃H₁₃N₃

InChI: InChI=1S/C13H13N3/c14-6-12-9-16(10-13(12)7-15)8-11-4-2-1-3-5-11/h1-5,12-13H,8-10H2

InChI key: InChIKey=XIWMQEMWDVQAEC-UHFFFAOYSA-N

SMILES: C(N1CC(C#N)C(C#N)C1)C2=CC=CC=C2

Synonyms:

• 3,4-Pyrrolidinedicarbonitrile, 1-(phenylmethyl)-
• 1-(Phenylmethyl)-3,4-pyrrolidinedicarbonitrile