187847-76-3

Basic information

• Product Name: 6-tert-butyl-6-phenylpentathiane
• Synonyms: 6-tert-butyl-6-phenylpentathiane
• CAS NO: 187847-76-3
• Molecular Weight: 306.562
• Mol File: 187847-76-3.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 6-tert-butyl-6-phenylpentathiane(CAS DataBase Reference)
• NIST Chemistry Reference: 6-tert-butyl-6-phenylpentathiane(187847-76-3)
• EPA Substance Registry System: 6-tert-butyl-6-phenylpentathiane(187847-76-3)

Safety Data

• Hazardous Substances Data: 187847-76-3(Hazardous Substances Data)

Upstream product

• 40920-09-0 tert-butyl phenyl thioketone 
• 79289-77-3 (2,2-dimethyl-1-phenylpropylidene)hydrazine 

Downstream Products

• 300539-09-7 cis-3,5-di-tert-butyl-3,5-diphenyl-1,2,4-trithiolane 
• 40920-09-0 tert-butyl phenyl thioketone 
• 938-16-9 2,2-dimethylpropiophenone 
• 78132-53-3 (Z)-1-phenyl-2,2-dimethylpropane-1-thione S-oxide 

Relevant articles and documents

Structure elucidation of 6-t-butyl-6-phenylpentathiane monoxides by X-ray crystallography and DFT calculations

6-t-Butyl-6-phenylpentathiane was oxidized with trifluoroperacetic acid (CF3CO3H) or dimethyldioxirane (DMD) at -20°C. Oxidation with CF3CO3H yielded pentathiane 3-oxide as the main product, whereas that of DMD gave 1- and 3-oxides. The structures of 1- and 3-oxides were finally determined by X-ray crystallographic analysis. DFT calculations of the NMR chemical shifts were performed on the chair and twist forms of the pentathiane and sixteen isomers of the monoxides with the GIAO method at the B3LYP/6-31G* level. The calculated chemical shifts were verified to be in practical agreement with the experimental data of the pentathiane and the isolated 1- and 3-oxides.

Formation of cyclic oligosulfides by reaction of hydrazones with disulfur dichloride

Reactions of some hydrazones with disulfur dichloride were reinvestigated in the absence of a base with expectation of obtaining dithiirane or thiosulfine derivatives. However, treatment of hydrazones derived from 1-adamantyl phenyl ketone, pivalophenone, and benzophenone with disulfur dichloride gave pentathianes and hexathiepanes along with other products, while di-t-butyl ketone hydrazone gave a novel heterocyclic compound, 1,1-di-t-butyltetrathiolane, though in a low yield.