CAS 122686-30-0

2-[(1,1-Dimethylethyl)amino]-4-oxazolecarbonitrile

Description:

2-[(1,1-Dimethylethyl)amino]-4-oxazolecarbonitrile, with the CAS number 122686-30-0, is a chemical compound characterized by its unique structure that includes an oxazole ring and a cyano group. This compound features a tert-butyl group attached to an amino group, which contributes to its stability and solubility in various solvents. The presence of the oxazole ring imparts heterocyclic properties, making it of interest in medicinal chemistry and material science. It is typically a solid at room temperature and may exhibit moderate to high polarity due to the cyano and amino functional groups. The compound's reactivity can be influenced by the electron-withdrawing nature of the cyano group, which can participate in various chemical reactions, including nucleophilic substitutions. Additionally, its potential applications may include use as an intermediate in organic synthesis or as a building block in the development of pharmaceuticals. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₈H₁₁N₃O

InChI: InChI=1S/C8H11N3O/c1-8(2,3)11-7-10-6(4-9)5-12-7/h5H,1-3H3,(H,10,11)

InChI key: InChIKey=RVPHJQAUSHVMJP-UHFFFAOYSA-N

SMILES: N(C(C)(C)C)C1=NC(C#N)=CO1

Synonyms:

• 4-Oxazolecarbonitrile, 2-[(1,1-dimethylethyl)amino]-
• 2-(tert-Butylamino)-1,3-oxazole-4-carbonitrile
• 2-[(1,1-Dimethylethyl)amino]-4-oxazolecarbonitrile