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CAS 130669-74-8

:

(3aS,5aR,6aR,6bS)-4-Bromo-3a,5a,6a,6b-tetrahydro-2,2-dimethyloxireno[e]-1,3-benzodioxole

Description:
The chemical substance known as (3aS,5aR,6aR,6bS)-4-Bromo-3a,5a,6a,6b-tetrahydro-2,2-dimethyloxireno[e]-1,3-benzodioxole, with the CAS number 130669-74-8, is a complex organic compound characterized by its unique bicyclic structure that incorporates a bromine atom and a dioxole moiety. This compound features multiple stereocenters, which contribute to its specific three-dimensional configuration, influencing its reactivity and interaction with biological systems. The presence of the bromine substituent can enhance its electrophilic properties, making it potentially useful in various synthetic applications. Additionally, the oxirane (epoxide) functionality suggests that it may participate in ring-opening reactions, which are significant in organic synthesis. The compound's structural intricacies may also impart specific pharmacological properties, making it of interest in medicinal chemistry. Overall, its unique structural features and potential reactivity profile make it a subject of interest for further research in both synthetic and applied chemistry contexts.
Formula:C9H11BrO3
InChI:InChI=1S/C9H11BrO3/c1-9(2)12-6-4(10)3-5-7(11-5)8(6)13-9/h3,5-8H,1-2H3/t5-,6-,7-,8-/m1/s1
InChI key:InChIKey=IJFOOAYHPAECGI-WCTZXXKLSA-N
SMILES:BrC=1[C@@]2([C@]([C@]3([C@](O3)(C1)[H])[H])(OC(C)(C)O2)[H])[H]
Synonyms:
  • Oxireno[e]-1,3-benzodioxole, 4-bromo-3a,5a,6a,6b-tetrahydro-2,2-dimethyl-, (3aS,5aR,6aR,6bS)-
  • (3aS,5aR,6aR,6bS)-4-Bromo-3a,5a,6a,6b-tetrahydro-2,2-dimethyloxireno[e]-1,3-benzodioxole
  • Oxireno[e]-1,3-benzodioxole, 4-bromo-3a,5a,6a,6b-tetrahydro-2,2-dimethyl-, [3aS-(3aα,5aβ,6aβ,6bα)]-
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