1-(Phenylsulfonyl)-1H-indole-3-carbonitrile

Base Information

• Chemical Name: 1-(Phenylsulfonyl)-1H-indole-3-carbonitrile
• CAS No.: 99532-56-6
• Molecular Formula: C15H10N2O2S
• Molecular Weight: 282.31700
• DSSTox Substance ID: DTXSID10442871
• Nikkaji Number: J775.586D
• Wikidata: Q82260433
• Mol file: 99532-56-6.mol

Synonyms:1-(Phenylsulfonyl)-1H-indole-3-carbonitrile;99532-56-6;1-(benzenesulfonyl)indole-3-carbonitrile;AGN-PC-0N7YGV;DTXSID10442871;AKOS025139577;N-(benzenesulfonyl)indole-3-carbonitrile;Phenylsulfonyl)-1H-indole-3-carbonitrile;1-(benzenesulfonyl)-1H-indole-3-carbonitrile

Chemical Property of 1-(Phenylsulfonyl)-1H-indole-3-carbonitrile

Chemical Property:

• PSA: 71.24000
• LogP: 3.83078
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 282.04629874
• Heavy Atom Count: 20
• Complexity: 496

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C#N

Technology Process of 1-(Phenylsulfonyl)-1H-indole-3-carbonitrile

There total 12 articles about 1-(Phenylsulfonyl)-1H-indole-3-carbonitrile 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%

copper(I) cyanide (544-92-3) + 3-iodo-1-phenylsulfonyl-1H-indole (80360-14-1) → 1-(benzenesulfonyl)-1H-indole-3-carbonitrile (99532-56-6)

Guidance literature:

With (diphenylphosphin)ferrocene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In 1,4-dioxane; for 4h; Heating;

DOI:10.1039/a903345i

Reference yield: 94.0%

1-(phenylsulfonyl)-N-(1,1-dimethylethyl)indole-3-carboxamide (99532-54-4) → 1-(benzenesulfonyl)-1H-indole-3-carbonitrile (99532-56-6)

Guidance literature:

With trichlorophosphate; In benzene; for 7h; Heating;

DOI:10.1021/jo00350a001

Reference yield: 84.0%

3-cyano-1H-indole (5457-28-3) + benzenesulfonyl chloride (98-09-9) → 1-(benzenesulfonyl)-1H-indole-3-carbonitrile (99532-56-6)

Guidance literature:

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

DOI:10.1055/s-2006-942449

upstream raw materials:

1-(phenylsulfonyl)-N-(1,1-dimethylethyl)indole-3-carboxamide

copper(I) cyanide

3-iodo-1-phenylsulfonyl-1H-indole

3-cyano-1H-indole

Downstream raw materials:

N-benzenesulfonyl-2-iodoindole-3-carbonitrile

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