40920-09-0

Basic information

• Product Name: 1-Propanethione, 2,2-dimethyl-1-phenyl-
• CAS NO: 40920-09-0
• Molecular Formula: C11H14S
• Molecular Weight: 178.298
• Mol File: 40920-09-0.mol

Chemical Properties

• CAS DataBase Reference: 1-Propanethione, 2,2-dimethyl-1-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Propanethione, 2,2-dimethyl-1-phenyl-(40920-09-0)
• EPA Substance Registry System: 1-Propanethione, 2,2-dimethyl-1-phenyl-(40920-09-0)

Safety Data

• Hazardous Substances Data: 40920-09-0(Hazardous Substances Data)

Upstream product

• 75-15-0 carbon disulfide 
• 108-86-1 bromobenzene 
• 630-18-2 tert-butyl isocyanide 
• 938-16-9 2,2-dimethylpropiophenone 
• 513-81-5 2,3-dimethyl-buta-1,3-diene 
• 187847-76-3 6-tert-butyl-6-phenylpentathiane 
• 300539-09-7 cis-3,5-di-tert-butyl-3,5-diphenyl-1,2,4-trithiolane 
• 79289-77-3 (2,2-dimethyl-1-phenylpropylidene)hydrazine 

Downstream Products

• 50407-12-0 2-tert-butyl-3,3-dimethyl-2-phenyl-thiirane 
• 50407-13-1 2,4,4-Trimethyl-3-phenyl-penten-⁽²⁾ 
• 42083-47-6 1-(Isopropylthio)-2,2-dimethyl-1-phenylpropan 
• 4250-82-2 (3,3-dimethyl-but-1-ynyl)benzene 
• 938-16-9 2,2-dimethylpropiophenone 
• 78132-53-3 (Z)-1-phenyl-2,2-dimethylpropane-1-thione S-oxide 
• 105122-48-3 1-(Benzylthio)-2,2-dimethyl-1-phenylpropan 
• 105122-49-4 1-(Benzylthio)-1-methoxy-2,2-dimethyl-1-phenylpropan 
• 42083-46-5 1-(Ethylthio)-2,2-dimethyl-1-phenylpropan 
• 105122-46-1 1-(Ethylthio)-1-methoxy-2,2-dimethyl-1-phenylpropan 
• 105122-51-8 1-Ethoxy-1-(ethylthio)-2,2-dimethyl-1-phenylpropan 
• 42083-45-4 2,2-Dimethyl-1-(methylthio)-1-phenylpropan 
• 105122-52-9 1-Isopropoxy-2,2-dimethyl-1-(methylthio)-1-phenylpropan 
• 105122-45-0 1-Methoxy-2,2-dimethyl-1-(methylthio)-1-phenylpropan 

Relevant articles and documents

Oxidation of cis-3,5-di-tert-alkyl-3,5-diphenyl-1,2,4-trithiolanes: Isolation and some properties of the 1-oxides and the 1,2-dioxides

Oxidation of cis-3,5-di-tert-alkyl-3,5-diphenyl-1,2,4-trithiolane with an excess amount of dimethyldioxirane gave the 1,2-dioxide, a vic-disulfoxide, and it was verified that the 1,2-dioxide was formed specifically from one of two stereoisomeric monoxides

Oxidation of cis- and trans-3,5-Di-tert-butyl-3,5-diphenyl-1,2,4-trithiolanes: Isolation and Properties of the 1-Oxides and the 1,2-Dioxides

Oxidation of trans-3,5-di-tert-butyl-3,5-diphenyl-1,2,4-trithiolane with dimethyldioxirane (DMD) or m-chloroperbenzoic acid (MCPBA) gave two stereoisomeric (1S*,3S*,5S*) - and (1R*,3S* ,5S*)-1-oxides (16 and 17, respectively). Oxidation of 16 with DMD gave the (1S*,2R*,3S*,5S*)-1,2-dioxide (18) and the 1,1-dioxide 19, and that of 17 yielded the (1R*,2R*,3S* ,5S*)-1,2-dioxide (20) mainly along with 18 and 19. The structures of the 1,2-dioxides 18 and 20 were determined by X-ray crystallography. 1,2-Dioxides 18 and 20 isomerized to each other in solution, and the equilibrium constant K (20/18) is 19 in CDCl3 at 295 K. The kinetic study suggested a biradical mechanism for the isomerization. Isomerization of 16 and 17 to cis-3,5-di-tert-butyl-1,2,4-trithiolane 1-oxides by treatment with Me 3O+BF4- is also described.

Deoxygenation of dithiirane 1-oxides with Lawesson's reagent leading to the corresponding dithiiranes

3,3-Disubstituted dithiirane 1-oxides were efficiently reduced with Lawesson's reagent (LR) to give the corresponding dithiiranes. X-ray diffraction analysis of 3,3-di(1-adamantyl)dithiirane is reported. Reaction of 34S-labeled 3,3-di(1-adamant

An S-oxide of 6-tert-butyl-6-phenylpentathiane. Structure in the crystalline state and in solution and thermal decomposition

Oxidation of 6-tert-butyl-6-phenylpentathiane with trifluoroperacetic acid gave the pentathiane 3-oxide mainly as the monooxide. The 3-oxide takes a twist conformation both in the crystalline state and in solution. Thermal decomposition of the 3-oxide in the presence of 2,3-dimethyl-1,3-butadiene yielded both S2O- and S2-transferred products.

A new simple synthesis of cis- and trans-3,5-di-tert-butyl-3,5-diaryl-1,2,4-trithiolanes from ketones and tetraphosphorus decasulfide

The reaction of pivalophenones with tetraphosphorus decasulfide afforded cis- and trans-3,5-di-tert-butyl-3,5-diaryl-1,2,4-trithiolanes, which equilibrated to give other isomers in refluxing toluene via thiopivalophenones and thiopivalophe-none S-sulfides.

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.

Dithiazoles and Related Compounds. Part 3. Preparation of 5H-1,4,2-Dithiazoles via 1,3-Dipolar Cycloadditions between Nitrile Sulphides and Thiocarbonyl Compounds, and some Conversions into 3,5-Diaryl-1,4,2-dithiazolium Salts

Thermolysis of 1,3,4-oxathiazol-2-ones 3 in the presence of thiocarbonyl compounds gives modest to good yields of the little-known 5H-1,4,2-dithiazoles 1, the reaction being successful with diaryl, aryl alkyl and dialkyl ketones, and thiono esters, but failing with dithio esters and tertiary thioamides.The influence of substituents is discussed.Solvolysis of 5-ethoxy-5H-1,4,2-dithiazoles, derived from thiono esters, with perchloric acid in acetic anhydride gives high yields of 3,5-diaryl-1,4,2-dithiazolium salts 9.

Electroreduction of Organic Compounds, 7. - Formation of Monothioacetals on Electroreduction of Thioketones in Alcohols

Thioethers 3 and monothioacetals 4 are obtained on cathodic reduction of thiopivalophenone (2) in alcohols as solvents in the presence of alkylating agents.

RMN 13C de thiocetones - role du groupement thiocarbonyle

The shielding effects of the sulfur atom on neighbouring carbons in 36 thioketones have been characterized by 13C NMR.The results are compared with those for the carbonyl derivatives.The importance of these data for structural elucidations is discussed.

Photochemical Oxidation of Thioketones: Steric and Electronic Aspects

Oxidation of diaryl, aryl alkyl, and dialkyl thioketones by singlet oxygen generated via self-sensitization and other independent methods yielded the corresponding ketone and sulfine in varying amounts.A zwitterionic/diradical intermediate arising out of the primary interaction of singlet oxygen with the thiocarbonyl chromophore is believed to be the common intermediate for the ketone and sulfine.While closure of the zwitterion/diradical to give 1,2,3-dioxathietane would lead to the ketone, competing oxygen elimination is believed to lead to the sulfine.This partitioning is governed by steric and electronic factors operating on the zwitterionic/diradical intermediate.