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CAS 951885-61-3

:

1-[(3-Bromophenyl)methyl]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane

Description:
1-[(3-Bromophenyl)methyl]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane is a complex organic compound characterized by its bicyclic structure, which includes a bicyclo[2.2.2]octane framework. This compound features three ether functional groups (trioxabicyclo), contributing to its unique chemical properties. The presence of a bromophenyl group enhances its reactivity and may influence its biological activity, making it of interest in medicinal chemistry. The methyl group at the 4-position adds to the steric and electronic characteristics of the molecule, potentially affecting its solubility and interaction with biological targets. The compound's structure suggests it may exhibit interesting pharmacological properties, although specific biological activities would require empirical investigation. Its CAS number, 951885-61-3, allows for precise identification in chemical databases, facilitating research and development efforts. Overall, this compound represents a unique combination of structural features that may be explored for various applications in organic synthesis and drug development.
Formula:C13H15BrO3
InChI:InChI=1S/C13H15BrO3/c1-12-7-15-13(16-8-12,17-9-12)6-10-3-2-4-11(14)5-10/h2-5H,6-9H2,1H3
InChI key:InChIKey=QJWQIXCPAVGZDM-UHFFFAOYSA-N
SMILES:C(C12OCC(C)(CO1)CO2)C3=CC(Br)=CC=C3
Synonyms:
  • 2,6,7-Trioxabicyclo[2.2.2]octane, 1-[(3-bromophenyl)methyl]-4-methyl-
  • 1-[(3-Bromophenyl)methyl]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
  • 4-[(3-bromophenyl)methyl]-1-methyl-3,5,8-trioxabicyclo[2.2.2]octane
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