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CAS 898785-76-7

:

1-(2-Bromophenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-pentanone

Description:
1-(2-Bromophenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-pentanone, with the CAS number 898785-76-7, is an organic compound characterized by its complex structure that includes a bromophenyl group and a dioxane moiety. This compound features a pentanone backbone, indicating the presence of a ketone functional group, which contributes to its reactivity and potential applications in organic synthesis. The bromine atom in the phenyl ring enhances the compound's electrophilicity, making it useful in various chemical reactions, including nucleophilic substitutions. The dioxane ring adds to the compound's stability and solubility in organic solvents. Its unique structure may allow for specific interactions in biological systems, making it of interest in medicinal chemistry. Additionally, the presence of bulky dimethyl groups can influence the steric properties and overall reactivity of the molecule. Overall, this compound exemplifies the diverse functionalities that can be achieved through careful molecular design in organic chemistry.
Formula:C17H23BrO3
InChI:InChI=1S/C17H23BrO3/c1-17(2)11-20-16(21-12-17)10-6-5-9-15(19)13-7-3-4-8-14(13)18/h3-4,7-8,16H,5-6,9-12H2,1-2H3
InChI key:InChIKey=KPZZKXOUXDGWRY-UHFFFAOYSA-N
SMILES:C(CCCCC1OCC(C)(C)CO1)(=O)C2=C(Br)C=CC=C2
Synonyms:
  • 1-(2-Bromophenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-pentanone
  • 1-Pentanone, 1-(2-bromophenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)-
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