67605-02-1

Basic information

• Product Name: 1-methyl-4-(prop-1-en-2-ylsulfonyl)benzene
• Synonyms: 1-Methyl-4-(prop-1-en-2-ylsulfonyl)benzene; 4-Methylphenyl prop-1-en-2-yl sulfone; benzene, 1-methyl-4-[(1-methylethenyl)sulfonyl]-
• CAS NO: 67605-02-1
• Molecular Formula: C₁₀H₁₂O₂S
• Molecular Weight: 196.2661
• Mol File: 67605-02-1.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 335.9°C at 760 mmHg
• Flash Point: 186.9°C
• Density: 1.119g/cm³
• Vapor Pressure: 0.000226mmHg at 25°C
• Refractive Index: 1.523
• CAS DataBase Reference: 1-methyl-4-(prop-1-en-2-ylsulfonyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-methyl-4-(prop-1-en-2-ylsulfonyl)benzene(67605-02-1)
• EPA Substance Registry System: 1-methyl-4-(prop-1-en-2-ylsulfonyl)benzene(67605-02-1)

Safety Data

• Hazardous Substances Data: 67605-02-1(Hazardous Substances Data)

Usage

Physical state

White solid The compound appears as a white solid in its pure form.

Odor

Strong 1-methyl-4-(prop-1-en-2-ylsulfonyl)benzene has a noticeable and potent odor.

Flammability

Highly flammable The compound can easily catch fire and burn, requiring caution during handling and storage.

Solubility

Soluble in organic solvents (acetone, ethyl acetate) 1-methyl-4-(prop-1-en-2-ylsulfonyl)benzene dissolves easily in certain organic solvents like acetone and ethyl acetate.

Water solubility

Insoluble The compound does not dissolve in water, making it less likely to mix with aqueous solutions.

Uses

Building block in organic synthesis (pharmaceuticals, agrochemicals) 1-methyl-4-(prop-1-en-2-ylsulfonyl)benzene is commonly used as an intermediate in the synthesis of various organic compounds, particularly in the production of pharmaceuticals and agrochemicals.

Skin and eye irritant

Potential health hazard The compound can cause skin and eye irritation, and should be handled with care to avoid contact with these sensitive areas.

Upstream product

• 536-57-2 p-toluene sulfinic acid 
• 74-99-7 prop-1-yne 
• 50-00-0 formaldehyd 
• 10486-08-5 sodium p-thiocresolate 
• 14195-15-4 α-(p-methylbenzenesulfonyl)propiophenone 
• 919466-30-1 2-(toluene-4-sulfonyl)-propionic acid 
• 105465-43-8 1-[2-(Toluene-4-sulfonyl)-propyl]-pyrrolidine 
• 109898-15-9 3-Acetoxy-2-methyl-2-(toluene-4-sulfonyl)-propionic acid allyl ester 
• 4964-06-1 (E)-prop-1-enyl(trimethyl)stannane 
• 824-79-3 sodium 4-methylbenzenesulfinate 

Downstream Products

• 16191-99-4 1-[2-(toluene-4-sulfonyl)-propyl]-piperidine 
• 126713-07-3 1-(N-tertbutylhydroxyamino)-2-(4-tolylsulfonyl)propane 
• 59336-77-5 (α,β-dibromo-isopropyl)-p-tolyl sulfone 

Relevant articles and documents

Gold-catalyzed intermolecular C-S bond formation: Efficient synthesis of α-substituted vinyl sulfones

A general method for the synthesis of α-substituted vinyl sulfones makes use of a combination of a triazole gold complex and gallium triflate. This efficient C-S bond formation between simple terminal alkynes and sulfinic acids provides access to various α-substituted vinyl sulfones. Less basic, less hindered: The gold-catalyzed intermolecular Markovnikov addition of sulfinic acids to terminal alkynes has been achieved through the use of a bimetallic gold/gallium catalyst system. Various α-substituted vinyl sulfones were efficiently synthesized. A one-pot synthesis that starts from the bench-stable sodium sulfinates was also developed (DCE=1,2-dichloroethane).

A General Synthetic Method for α-Methylene Compounds by the Palladium-Catalyzed Decarboxylation-Deacetoxylation of Allyl α-Acetoxymethylcarboxylates Substituted by an Electron-Withdrawing Group at α-Position

Allyl α-acetoxymethylcarboxylates substituted by ester, amide, nitro, cyano, and sulfonyl groups at α-position undergo smooth palladium-catalyzed decarboxylation-deacetoxylation under mild neutral conditions to afford corresponding α-methylene compounds in high yields.