35449-57-1

Basic information

• Product Name: ((methyl-d₃)sulfinyl)benzene
• Synonyms: ((methyl-d₃)sulfinyl)benzene
• CAS NO: 35449-57-1
• Molecular Weight: 143.182
• Mol File: 35449-57-1.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: ((methyl-d₃)sulfinyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: ((methyl-d₃)sulfinyl)benzene(35449-57-1)
• EPA Substance Registry System: ((methyl-d₃)sulfinyl)benzene(35449-57-1)

Safety Data

• Hazardous Substances Data: 35449-57-1(Hazardous Substances Data)

Upstream product

• 108-98-5 thiophenol 
• 369-57-3 benzenediazonium tetrafluoroborate 
• 826-07-3 thioanisole-α,α,α-d3 
• 100-68-5 methyl-phenyl-thioether 

Downstream Products

• 1193-82-4 racemic methyl phenyl sulfoxide 

Relevant articles and documents

Computational and Experimental Study of Turbo-Organomagnesium Amide Reagents: Cubane Aggregates as Reactive Intermediates in Pummerer Coupling

The dynamic equilibria of organomagnesium reagents are known to be very complex, and the relative reactivity of their components is poorly understood. Herein, a combination of DFT calculations and kinetic experiments is employed to investigate the detailed reaction mechanism of the Pummerer coupling between sulfoxides and turbo-organomagnesium amides. Among the various aggregates studied, unprecedented heterometallic open cubane structures are demonstrated to yield favorable barriers through a concerted anion-anion coupling/ S?O cleavage step. Beyond a structural curiosity, these results introduce open cubane organometallics as key reactive intermediates in turbo-organomagnesium amide mixtures.

Nucleophilic ortho-propargylation of aryl sulfoxides: An interrupted pummerer/allenyl thio-Claisen rearrangement sequence

A new direction: The nucleophilic ortho-propargylation of aryl sulfoxides exploits intermolecular delivery of the nucleophile to sulfur followed by an intramolecular relay to carbon (see scheme). The simple, metal-free procedure is general, regiospecific with regard to the propargyl nucleophile, and completely selective for products of ortho-propargylation over allenylation.

Evidence for the involvement of a sulfurane intermediate in the oxidation of simple sulfides by methyl(trifluoromethyl)dioxirane

Methyl(trifluoromethyl)dioxirane reacts with sulfides to give preferentially sulfones, even in the presence of competing sulfoxides. The sulfoxide yield increases at the expense of the sulfone when 2,2,2-trifluoroethanol is used as co-solvent. The reactio