4-BROMOBENZENESULPHONYLACETONITRILE

Base Information

• Chemical Name: 4-BROMOBENZENESULPHONYLACETONITRILE
• CAS No.: 126891-45-0
• Molecular Formula: C8H6BrNO2S
• Molecular Weight: 260.111
• Hs Code.: 2926909090
• Mol file: 126891-45-0.mol

Synonyms:Acetonitrile,[(4-bromophenyl)sulfonyl]- (9CI);(4-Bromophenylsulfonyl)acetonitrile;

Chemical Property of 4-BROMOBENZENESULPHONYLACETONITRILE

Chemical Property:

• Vapor Pressure: 7.16E-08mmHg at 25°C
• Melting Point: 190-192 °C
• Refractive Index: 1.582
• Boiling Point: 438 °C at 760 mmHg
• Flash Point: 218.7 °C
• PSA: 66.31000
• Density: 1.653 g/cm³
• LogP: 2.82718

Purity/Quality:

97% ^*data from raw suppliers

[(4-Bromophenyl)sulfonyl]acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-BROMOBENZENESULPHONYLACETONITRILE

There total 5 articles about 4-BROMOBENZENESULPHONYLACETONITRILE 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: 51.0%

1,4-bromoiodobenzene (589-87-7) + 3-azido-2-methylbut-3-en-2-ol (1624363-23-0) → 2-((4-bromophenyl)sulfonyl)acetonitrile (126891-45-0)

Guidance literature:

With 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; In acetonitrile; at 20 ℃; for 24h; Inert atmosphere; UV-irradiation;

DOI:10.1039/d0cc00351d

Reference yield:

2-((4-bromophenyl)thio)acetonitrile → 2-((4-bromophenyl)sulfonyl)acetonitrile (126891-45-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jm300491y

Reference yield:

para-bromobenzenethiol (106-53-6) → 2-((4-bromophenyl)sulfonyl)acetonitrile (126891-45-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 2 h

2: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 2 h / 0 °C / Inert atmosphere

With potassium carbonate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm300491y

upstream raw materials:

chloroacetonitrile

para-bromobenzenethiol

1,4-bromoiodobenzene

3-azido-2-methylbut-3-en-2-ol

Downstream raw materials:

2-(4-bromo-benzenesulfonyl)-thioacetamide

2-(4-bromo-benzenesulfonyl)-5-phenyl-penta-2,4-dienenitrile

2-(4-Bromo-benzenesulfonyl)-2-cyano-N-p-tolyl-thioacetamide

2-(4-Bromo-benzenesulfonyl)-2-cyano-N-phenyl-thioacetamide

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