1-(Phenylsulfonyl)-2-pyrrolecarbonitrile

Base Information

Chemical Name:1-(Phenylsulfonyl)-2-pyrrolecarbonitrile
CAS No.:97188-22-2
Molecular Formula:C11H8 N2 O2 S
Molecular Weight:232.26
Hs Code.:2933990090
European Community (EC) Number:622-017-8
DSSTox Substance ID:DTXSID80401677
Nikkaji Number:J1.186.128H
Wikidata:Q82204891
Mol file:97188-22-2.mol

Synonyms:1-(Phenylsulfonyl)-2-pyrrolecarbonitrile;97188-22-2;1-(benzenesulfonyl)pyrrole-2-carbonitrile;1-(Phenylsulfonyl)-1H-pyrrole-2-carbonitrile;DTXSID80401677;AKOS015898197;1-(Phenylsulfonyl)-2-pyrrolecarbonitrile,98%;1-(Phenylsulfonyl)-2-pyrrolecarbonitrile, 98%;3-AMINO-3-(5,7-DIMETHYL-4-OXO-4H-CHROMEN-3-YL)-PROPIONICACID

Suppliers and Price of 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile

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

American Custom Chemicals Corporation
1-(PHENYLSULFONYL)-2-PYRROLECARBONITRILE 95.00%
1G
$ 712.25

Total 1 raw suppliers

Chemical Property of 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile

Chemical Property:

Vapor Pressure:3.55E-08mmHg at 25°C
Melting Point:93-96 °C(lit.)
Refractive Index:1.624
Boiling Point:446.8°C at 760 mmHg
Flash Point:224°C
PSA：71.24000
Density:1.28g/cm³
LogP:2.67758
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:232.03064868
Heavy Atom Count:16
Complexity:384

Purity/Quality:

97% ^*data from raw suppliers

1-(PHENYLSULFONYL)-2-PYRROLECARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 20/21/22-36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C#N

Technology Process of 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile

There total 4 articles about 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile 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%

: 1189-71-5
isocyanate de chlorosulfonyle

: 16851-82-4
N-phenylsulfonylpyrrole

: 97188-22-2
1-(Phenylsulfonyl)pyrrole-2-carbonitrile

Guidance literature:: In acetonitrile; for 5h; Ambient temperature; then DMF, room t., 1 h;

Reference yield: 97.0%

: 544-92-3
copper(I) cyanide

: 247922-33-4
2-Iodo-1-(phenylsulfonyl)pyrrole

: 97188-22-2
1-(Phenylsulfonyl)pyrrole-2-carbonitrile

Guidance literature:: With (diphenylphosphin)ferrocene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In 1,4-dioxane; for 1h; Heating;
DOI:10.1039/a903345i

Reference yield:

: 98-09-9
benzenesulfonyl chloride

: 97188-22-2
1-(Phenylsulfonyl)pyrrole-2-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 84 percent / tetrabutylammonium hidrogen sulfate, 50percent aq. sodium hydroxide / CH₂Cl₂ / 20 h / Ambient temperature

2: 99 percent / acetonitrile / 5 h / Ambient temperature; then DMF, room t., 1 h

With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; In dichloromethane; acetonitrile;