265097-63-0

Basic information

• Product Name: 2,2,4,4-tetramethyl-1-phenyl-6,7-dithiabicyclo[3.1.1]heptane
• Synonyms: 2,2,4,4-tetramethyl-1-phenyl-6,7-dithiabicyclo[3.1.1]heptane
• CAS NO: 265097-63-0
• Molecular Weight: 264.456
• Mol File: 265097-63-0.mol

Chemical Properties

• CAS DataBase Reference: 2,2,4,4-tetramethyl-1-phenyl-6,7-dithiabicyclo[3.1.1]heptane(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2,4,4-tetramethyl-1-phenyl-6,7-dithiabicyclo[3.1.1]heptane(265097-63-0)
• EPA Substance Registry System: 2,2,4,4-tetramethyl-1-phenyl-6,7-dithiabicyclo[3.1.1]heptane(265097-63-0)

Safety Data

• Hazardous Substances Data: 265097-63-0(Hazardous Substances Data)

Upstream product

• 247090-24-0 2,2,4,4-tetramethyl-1-phenyl-6,7,8-trithiabicyclo[3.2.1]octane 
• 591-51-5 phenyllithium 
• 95581-36-5 2,2,4,4-Tetramethyl-5-oxo-5-phenylpentansaeure 
• 1189-82-8 2,2,4,4-tetramethylpentanedioic acid 
• 265097-66-3 3,3,3',3',5,5,5',5'-octamethyl-6,6'-diphenyl-t-6,t-6'-disulfanyl-r-2,r-2'-dithiodi(thiane) 
• 247090-27-3 2,2,4,4-tetramethyl-5-oxo-5-phenylpentanal 
• 247090-26-2 2,2,4,4-tetramethyl-1-phenylpentane-1,5-diol 

Downstream Products

• 265097-62-9 trans-3,6-bis(1,1,3,3-tetramethyl-4-oxo-4-phenylbutyl)-1,2,4,5-tetrathiane 
• 265097-61-8 cis-3,6-bis(1,1,3,3-tetramethyl-4-oxo-4-phenylbutyl)-1,2,4,5-tetrathiane 

Relevant articles and documents

Formation, structure, and thionation of 1,2,4,5-tetrathianes [cis- and trans-3,6-bis(1,1,3,3-tetramethyl-4-oxo-4-phenylbutyl)1,2,4,5-tetrathianes]

2,2,4,4-Tetramethyl-1-phenyl-6,7-dithiabicyclo[3.1.1]heptane was treated with 2KHSO5·KHSO4·K2SO4 to yield cis- and trans-3,6-bis(1,1,3,3- tetramethyl-4-oxo-4-phenylbutyl)-1,2,4,5-tetrathianes. The formation mechanism of the tetrathianes is discussed. X-Ray crystallography disclosed that the cis- and trans-isomers take twist and chair conformations, respectively, in the solid state. Variable-temperature 1H NMR spectroscopy in solution showed that the cis-isomer takes a twist conformation exclusively in the temperature range, whereas the trans-isomer exists as an equilibrium mixture of chair and twist conformers. The cis-tetrathiane reacted with Lawesson's reagent at 50 Γ to give the corresponding di-2-thianyl disulfide.

Rearrangement of the carbanion generated from a tied-back 1,2,4- trithiolane oxide (6,7,8-trithiabicyclo[3.2.1]octane 6-oxide)

Treatment of 2,2,4,4-tetramethyl-6,7,8-trithiabicyclo[3.2.1]octane 6- exo-oxide (3) with LDA, followed by treatment with D2O, R1 (R = Me, Et), and 2-PrBr, yielded the deuterated starting compound (3-d), bicyclic 1,3- dithietane oxides (12, 13),