68978-36-9

Basic information

• Product Name: Benzene, 1-methyl-4-[(1-methyl-2-propenyl)sulfonyl]-
• CAS NO: 68978-36-9
• Molecular Formula: C11H14O2S
• Molecular Weight: 210.297
• Mol File: 68978-36-9.mol
• Article Data: 11

Chemical Properties

• CAS DataBase Reference: Benzene, 1-methyl-4-[(1-methyl-2-propenyl)sulfonyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-methyl-4-[(1-methyl-2-propenyl)sulfonyl]-(68978-36-9)
• EPA Substance Registry System: Benzene, 1-methyl-4-[(1-methyl-2-propenyl)sulfonyl]-(68978-36-9)

Safety Data

• Hazardous Substances Data: 68978-36-9(Hazardous Substances Data)

Upstream product

• 536-57-2 p-toluene sulfinic acid 
• 106-99-0 buta-1,3-diene 
• 563-52-0 2-chloro-3-butene 
• 98-59-9 p-toluenesulfonyl chloride 
• 624-31-7 4-tolyl iodide 
• 13436-82-3 2-butenyltriethoxysilane 
• 7257-26-3 sodium p-toluenesulfinate tetrahydrate 
• 1950-78-3 p-toluenesulfonyl iodide 
• 3112-87-6 1-methyl-4-(prop-2-ene-1-sulfonyl)benzene 
• 74-88-4 methyl iodide 
• 917-54-4 methyllithium 
• 126246-25-1 (E)-2-Butenyl phenyl selenide 
• 36195-56-9 (E)-but-2-en-1-yl phenyl sulfide 
• 106708-07-0 cis-2-butenyl (+/-)-p-toluenesulfinate 

Downstream Products

• 99285-74-2 3-methyl-3-p-tolylsulphonylocta-1,7-diene 
• 95924-37-1 p-toluenesulfonyl-3 butene-2 al-1 
• 95924-40-6 p-toluenesulfonyl-3 butene-2 ol-1 
• 99285-80-0 1-methyl-1-vinyl-2-p-tolylsulphonylmethylcyclopentane 
• 24931-66-6 2-butenyl p-tolyl sulfone 
• 68276-71-1 (2E)-1-(2-butenylsulfonyl)-4-methylbenzene 
• 72592-55-3 (Z)-1-(but-2-ene-1-sulfonyl)-4-methylbenzene 
• 18435-35-3 3-methyl-non-1-ene 
• 20348-51-0 (Z)-2-decene 
• 20063-97-2 trans-2-decene 

Relevant articles and documents

SO2 conversion to sulfones: Development and mechanistic insights of a sulfonylative Hiyama cross-coupling

A Pd-catalyzed Hiyama cross-coupling reaction using SO2 is described. The use of silicon-based nucleophiles leads to the formation of allyl sulfones under mild conditions with a broad functional group tolerance. Control experiments coupled with DFT calculations shed light on the key steps of the reaction mechanism, revealing the crucial role of a transient sulfinate anion.

Bi or Cd-induced coupling of sulfonyl chlorides with allylic halides. A simple synthesis of allylic sulfones

The bismuth or cadmium-catalyzed coupling reaction between aryl and alkyl sulfonyl chlorides and allylic halides proceeds smoothly to provide excellent yields of allylic sulfones at ambient temperature.

Palladium-Catalyzed Allylic Sulfinate-Sulfone Rearrangements

Upon treatment with a zero-valent palladium catalyst, tetrakis(triphenylphosphine)palladium, in tetrahydrofuran under mild conditions allylic p-toluenesulfinates underwent α- or γ-rearrangements of the sulfonyl group via ionic intermediates to give allylic sulfones.The regiochemistry of the rearrangements depends on the character of the intermediary allylic cationic carbons generated and the steric hindrance involved therein.Keywords - allylic sulfinate; allylic sulfone; palladium catalyst; sulfinate-sulfone rearrangement; regiochemistry; tetrakis(triphenylphosphine)palladium.