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CAS 70636-86-1

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2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-(1,1-dimethylethyl)-, 1-sulfide

Description:
2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-(1,1-dimethylethyl)-, 1-sulfide, identified by CAS number 70636-86-1, is a chemical compound characterized by its unique bicyclic structure that incorporates phosphorus, sulfur, and oxygen atoms. This compound features a bicyclo[2.2.2]octane framework, which contributes to its rigidity and stability. The presence of three oxygen atoms in the form of oxo groups and a sulfur atom introduces interesting reactivity and potential applications in various fields, including materials science and organic synthesis. The tert-butyl group (1,1-dimethylethyl) enhances its steric bulk, which can influence its chemical behavior and interactions with other molecules. Additionally, the phosphabicyclic structure may impart specific electronic properties, making it a candidate for use in catalysis or as a ligand in coordination chemistry. Overall, this compound's unique structural features and functional groups suggest potential utility in specialized chemical applications, although detailed studies would be necessary to fully elucidate its properties and reactivity.
Formula:C8H15O3PS
InChI:InChI=1S/C8H15O3PS/c1-7(2,3)8-4-9-12(13,10-5-8)11-6-8/h4-6H2,1-3H3
InChI key:InChIKey=VTBHBNXGFPTBJL-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C12COP(=S)(OC1)OC2
Synonyms:
  • tert-Butylbicyclophosphorothionate
  • 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-(1,1-dimethylethyl)-, 1-sulfide
  • 4-tert-Butyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-1-thione
  • TBPS
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