Methylenedimethylsulfuran

Base Information

• Chemical Name: Methylenedimethylsulfuran
• CAS No.: 6814-64-8
• Molecular Formula: C₃H₈S
• Molecular Weight: 76.1625
• Nikkaji Number: J606.411F,J2.239.297B,J929.185G
• Mol file: 6814-64-8.mol

Synonyms:Methylenedimethylsulfuran;Sulfonium, dimethyl-, methylide;6814-64-8;Dimethylsulfoniomethanide;Dimethylsulfoniomethylide;dimethylsulfonium methylide;Methylenedimethylsulfur(IV)

Chemical Property of Methylenedimethylsulfuran

Chemical Property:

• PSA: 19.21000
• LogP: 0.94690
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 76.03467143
• Heavy Atom Count: 4
• Complexity: 26.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=C)C

Refernces

Perfluoroalkyl migration in the rearrangement of 4-perfluoroalkyl-4-quinols

10.1016/S0040-4020(01)86584-4

The research investigates the migration of perfluoroalkyl groups in the rearrangement of 4-perfluoroalkyl-4-quinols. Key chemicals involved include 4-(perfluoro-n-alkyl)-4-hydroxy-2,5-cyclohexadien-1-one (4-perfluoroalkyl-4-quinols), which undergo base-catalyzed rearrangement to form products like 2-(perfluoro-n-alkyl)hydroquinone or 5-(perfluoro-n-alkyl)-2-cyclohexen-1,4-dione, depending on the substitution pattern. Other chemicals such as dimethylsulfonium methylide and dimethyloxosulfonium methylide were used in attempted preparations of 4-(perfluorooctyl)benzaldehyde, resulting in various by-products. The study also explored the acyloin rearrangement of different 4-perfluoroalkyl-4-quinols, revealing that the presence of substituents next to the carbonyl group retards migration, while substituents adjacent to the perfluoroalkyl group promote it.