3-(Phenylsulfonyl)acrylonitrile

Base Information

• Chemical Name: 3-(Phenylsulfonyl)acrylonitrile
• CAS No.: 1424-51-7
• Molecular Formula: C9H7 N O2 S
• Molecular Weight: 193.2224
• Nikkaji Number: J1.794.981K
• Wikidata: Q76144393
• Mol file: 1424-51-7.mol

Synonyms:3-(Phenylsulfonyl)acrylonitrile;(E)-3-(phenylsulfonyl)acrylonitrile;1424-51-7;64326-47-2;2-PROPENENITRILE, 3-(PHENYLSULFONYL)-;(E)-3-(benzenesulfonyl)prop-2-enenitrile;Acrylonitrile, 3-(phenylsulfonyl)-;SCHEMBL9430679;BAA42451;MFCD02101420;AKOS006277158;DS-19346;LS-123513;CS-0161229;(2E)-3-(Phenylsulfonyl)-2-propenenitrile #;EN300-7359989;A908921;AB-337/25021003;(2E)-3-(BENZENESULFONYL)PROP-2-ENENITRILE;J-501955;Z1198159587;1424-51-7 inverted exclamation mark inverted exclamation mark

Chemical Property of 3-(Phenylsulfonyl)acrylonitrile

Chemical Property:

• Vapor Pressure: 2.28E-06mmHg at 25°C
• Boiling Point: 392.5°Cat760mmHg
• Flash Point: 191.2°C
• PSA: 66.31000
• Density: 1.277g/cm³
• LogP: 2.57838
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.01974964
• Heavy Atom Count: 13
• Complexity: 322

Purity/Quality:

97% ^*data from raw suppliers

3-(Phenylsulfonyl)acrylonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)C=CC#N
• Isomeric SMILES: C1=CC=C(C=C1)S(=O)(=O)/C=C/C#N

Technology Process of 3-(Phenylsulfonyl)acrylonitrile

There total 7 articles about 3-(Phenylsulfonyl)acrylonitrile 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:

benzenesulfonyl chloride (98-09-9) → β-phenylsulphonylacrylonitrile (1424-51-7)

Guidance literature:

Multi-step reaction with 2 steps

1: CuCl₂, Et₃N*HCl / 16 h / 85 - 112 °C

2: Et₃N / benzene

With triethylamine hydrochloride; triethylamine; copper dichloride; In benzene;

DOI:10.1039/jr9640004962

Reference yield:

sodium benzenesulfonate (873-55-2) → β-phenylsulphonylacrylonitrile (1424-51-7)

Guidance literature:

Multi-step reaction with 2 steps

1: water; acetic acid; methanol / 0.17 h

2: triethylamine / chloroform / 0.33 h / 0 °C

With triethylamine; In methanol; chloroform; water; acetic acid;

Reference yield:

2-chloro-3-(phenylsulfonyl)propanenitrile (1424-50-6) → β-phenylsulphonylacrylonitrile (1424-51-7)

Guidance literature:

With triethylamine; In benzene;

DOI:10.1039/jr9640004962

upstream raw materials:

2-bromoacrylonitrile

sodium benzenesulfonate

2-chloro-3-(phenylsulfonyl)propanenitrile

Phenyl-β-brom-β-cyan-ethyl-sulfon

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