3-[(4-Bromophenyl)sulfonyl]propanenitrile

Base Information

Chemical Name:3-[(4-Bromophenyl)sulfonyl]propanenitrile
CAS No.:14223-23-5
Molecular Formula:C9H8BrNO2S
Molecular Weight:274.138
Hs Code.:
DSSTox Substance ID:DTXSID10365930
Wikidata:Q82150972
Mol file:14223-23-5.mol

Synonyms:14223-23-5;3-(4-bromophenyl)sulfonylpropanenitrile;3-[(4-BROMOPHENYL)SULFONYL]PROPANENITRILE;3-((4-Bromophenyl)sulfonyl)propanenitrile;Propanenitrile, 3-[(4-bromophenyl)sulfonyl]-;Cambridge id 5210672;SCHEMBL3167183;DTXSID10365930;RYSFIXLXIPDHST-UHFFFAOYSA-N;HMS1577H12;AKOS003588082;BB 0219417;EU-0066747;AB00075210-01

Suppliers and Price of 3-[(4-Bromophenyl)sulfonyl]propanenitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
3-((4-Bromophenyl)sulfonyl)propanenitrile 95+%
5g
$ 1621.00

Total 1 raw suppliers

Chemical Property of 3-[(4-Bromophenyl)sulfonyl]propanenitrile

Chemical Property:

PSA：66.31000
LogP:3.21728
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:272.94591
Heavy Atom Count:14
Complexity:317

Purity/Quality:

99.90% ^*data from raw suppliers

3-((4-Bromophenyl)sulfonyl)propanenitrile 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1S(=O)(=O)CCC#N)Br

Technology Process of 3-[(4-Bromophenyl)sulfonyl]propanenitrile

There total 2 articles about 3-[(4-Bromophenyl)sulfonyl]propanenitrile 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: 85.0%

: 34176-08-4
sodium 4-bromobenzenesulfinate

: 107-13-1,25014-41-9
acrylonitrile

: 14223-23-5
3-(4-bromobenzenesulfonyl)propionitrile

Guidance literature:: With acetic acid; In water; at 100 ℃; for 1.5h;

Reference yield:

: 106-53-6
para-bromobenzenethiol

: 14223-23-5
3-(4-bromobenzenesulfonyl)propionitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / Triton B

2: 95 percent / 3-ClC₆H₄CO₃H / CH₂Cl₂

With N-benzyl-trimethylammonium hydroxide; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; 1: Michael addition;
DOI:10.1021/ol006912n