CAS 898786-30-6

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-nitrophenyl)-1-butanone

Description:

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-nitrophenyl)-1-butanone, identified by its CAS number 898786-30-6, is an organic compound characterized by its complex structure that includes a dioxane ring and a nitrophenyl group. This compound typically exhibits properties associated with both ketones and aromatic compounds, which may influence its reactivity and solubility. The presence of the dioxane moiety suggests potential for forming hydrogen bonds, impacting its physical properties such as boiling and melting points. The nitrophenyl group can impart electron-withdrawing characteristics, affecting the compound's reactivity in electrophilic substitution reactions. Additionally, the bulky dimethyl groups may influence steric hindrance, potentially affecting the compound's interactions in biological systems or chemical reactions. Overall, this compound's unique structure may lead to interesting applications in fields such as pharmaceuticals, materials science, or organic synthesis, although specific applications would depend on further research into its properties and behavior in various environments.

Formula: C₁₆H₂₁NO₅

InChI: InChI=1S/C16H21NO5/c1-16(2)10-21-15(22-11-16)5-3-4-14(18)12-6-8-13(9-7-12)17(19)20/h6-9,15H,3-5,10-11H2,1-2H3

InChI key: InChIKey=IWRQPFNOROSSTR-UHFFFAOYSA-N

SMILES: C(CCCC1OCC(C)(C)CO1)(=O)C2=CC=C(N(=O)=O)C=C2

Synonyms:

• 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-nitrophenyl)-1-butanone
• 1-Butanone, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-nitrophenyl)-