4-(METHYLSULFONYL)BENZONITRILE

Base Information

• Chemical Name: 4-(METHYLSULFONYL)BENZONITRILE
• CAS No.: 22821-76-7
• Molecular Formula: C8H7NO2S
• Molecular Weight: 181.215
• Hs Code.: 29214200
• Mol file: 22821-76-7.mol

Synonyms:Benzonitrile,p-(methylsulfonyl)- (6CI,7CI,8CI);4-(Methylsulfonyl)benzonitrile;4-Methanesulfonylbenzonitrile;Methyl p-cyanophenyl sulfone;p-Cyanophenylmethyl sulfone;p-Methanesulfonylbenzonitrile;

Chemical Property of 4-(METHYLSULFONYL)BENZONITRILE

Chemical Property:

• Appearance/Colour: white to brown crystalline powder
• Vapor Pressure: 3.7E-06mmHg at 25°C
• Melting Point: 137-142 °C
• Refractive Index: 1.57
• Boiling Point: 385.821 °C at 760 mmHg
• Flash Point: 187.138 °C
• PSA: 66.31000
• Density: 1.33 g/cm³
• LogP: 2.04258
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

4-(Methylsulfonyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-22
• Safety Statements: 24/25

MSDS Files:

Useful:

Technology Process of 4-(METHYLSULFONYL)BENZONITRILE

There total 41 articles about 4-(METHYLSULFONYL)BENZONITRILE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

p-cyanophenyl methyl sulfide (21382-98-9) → 4-(methylsulfonyl)benzonitrile (22821-76-7)

Guidance literature:

With phthalic anhydride; urea hydrogen peroxide adduct; In ethyl acetate; at 20 ℃; Green chemistry;

DOI:10.1055/s-0037-1609446

Reference yield: 90.0%

Methyl p-tolyl sulfone (3185-99-7) → 4-(methylsulfonyl)benzonitrile (22821-76-7)

Guidance literature:

Methyl p-tolyl sulfone; With hydrogen bromide; dihydrogen peroxide; In tetrachloromethane; water; at 20 ℃; for 1h; Irradiation;

With ammonia; iodine; In tetrachloromethane; water; acetonitrile; at 20 - 60 ℃; for 18h;

DOI:10.1002/ejoc.201402270

Reference yield: 86.0%

p-cyanophenyl methyl sulfide (21382-98-9) → 4-methanesulfinylbenzonitrile (60958-04-5,121405-10-5,97474-48-1) + 4-(methylsulfonyl)benzonitrile (22821-76-7)

Guidance literature:

With pyridine; methanol; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen; copper(II) sulfate; at 65 ℃; for 16h; under 760.051 Torr; chemoselective reaction; Schlenk technique; Green chemistry;

DOI:10.1016/j.tetlet.2018.01.066

upstream raw materials:

p-cyanophenyl methyl sulfide

4-methanesulfonylphenylamine

benzenesulfonyl-(4-methanesulfonyl-benzoyl)-amine

benzenesulfonamide

Downstream raw materials:

4-(methanesulfonyl)acetophenone

AMSO

(4-(methylsulfonyl)phenyl)(phenyl)methanone

para-methanesulfonylbenzaldehyde