CAS 1807938-68-6

(3S,9aS)-Hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine-3-carbonitrile

Description:

(3S,9aS)-Hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine-3-carbonitrile is a chemical compound characterized by its complex bicyclic structure, which includes both oxazine and oxazino moieties. This compound features a carbonitrile functional group, contributing to its potential reactivity and applications in organic synthesis. The stereochemistry indicated by the (3S,9aS) designation suggests specific spatial arrangements of atoms, which can influence the compound's biological activity and interaction with other molecules. Typically, compounds of this nature may exhibit properties such as solubility in polar solvents, moderate stability under standard conditions, and potential for forming hydrogen bonds due to the presence of nitrogen and oxygen atoms in the ring structure. Its unique configuration may also suggest potential applications in pharmaceuticals or agrochemicals, where such structural features are often linked to specific biological activities. Further studies would be necessary to elucidate its full range of properties and potential uses in various chemical contexts.

Formula: C₈H₁₂N₂O₂

InChI: InChI=1S/C8H12N2O2/c9-3-8-4-10-1-2-11-5-7(10)6-12-8/h7-8H,1-2,4-6H2/t7-,8+/m0/s1

InChI key: InChIKey=PWBQRVNCTNMAGL-JGVFFNPUSA-N

SMILES: C(#N)[C@@H]1CN2[C@](CO1)(COCC2)[H]

Synonyms:

• (3S,9aS)-Hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine-3-carbonitrile
• 1H-[1,4]Oxazino[3,4-c][1,4]oxazine-3-carbonitrile, hexahydro-, (3S,9aS)-

Hexahydro-1H-[1,4]oxazino[3,4-c]morpholine-3-carbonitrile

CAS: 1807938-68-6

Versatile small molecule scaffold

Formula: C₈H₁₂N₂O₂

Purity: Min. 95%

Molecular weight: 168.19 g/mol

Ref: 3D-HXC93868