2,3-dimethyl-1-(phenylsulfonyl)-1H-indole

Base Information

• Chemical Name: 2,3-dimethyl-1-(phenylsulfonyl)-1H-indole
• CAS No.: 116325-48-5
• Molecular Formula: C16H15NO2S
• Molecular Weight: 285.367
• NSC Number: 89260
• DSSTox Substance ID: DTXSID30293403
• Nikkaji Number: J575.814I
• Wikidata: Q82032113
• Mol file: 116325-48-5.mol

Synonyms:116325-48-5;2,3-dimethyl-1-(phenylsulfonyl)-1H-indole;1H-indole, 2,3-dimethyl-1-(phenylsulfonyl)-;1-(benzenesulfonyl)-2,3-dimethylindole;NSC89260;SCHEMBL19605706;DTXSID30293403;N-phenylsulphonyl-2,3-dimethylindole;NSC-89260;STK059927;AKOS015994488;CCG-277884;SS-3474;1-Benzenesulfonyl-2,3-dimethyl-1H-indole;1-(benzenesulfonyl)-2,3-dimethyl-1H-indole;InChI=1/C16H15NO2S/c1-12-13(2)17(16-11-7-6-10-15(12)16)20(18,19)14-8-4-3-5-9-14/h3-11H,1-2H

Chemical Property of 2,3-dimethyl-1-(phenylsulfonyl)-1H-indole

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 285.08234989
• Heavy Atom Count: 20
• Complexity: 436

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(N(C2=CC=CC=C12)S(=O)(=O)C3=CC=CC=C3)C

Technology Process of 2,3-dimethyl-1-(phenylsulfonyl)-1H-indole

There total 1 articles about 2,3-dimethyl-1-(phenylsulfonyl)-1H-indole 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: 98.0%

2,3-dimethylindole (91-55-4) + benzenesulfonyl chloride (98-09-9) → N-benzenesulfonyl-2,3-dimethyl-1H-indole (116325-48-5)

Guidance literature:

2,3-dimethylindole; With potassium hydride; In tetrahydrofuran; at 0 ℃;

benzenesulfonyl chloride;

DOI:10.1081/SCC-120004850

Reference yield: 92.0%

N-benzenesulfonyl-2,3-dimethyl-1H-indole (116325-48-5) → 1-(Phenylsulfonyl)-3-methyl-2-(bromomethyl)indole (164261-56-7)

Guidance literature:

With N-Bromosuccinimide; Perbenzoic acid; In tetrachloromethane; Heating;

DOI:10.1021/jo00112a011

Reference yield: 90.0%

N-benzenesulfonyl-2,3-dimethyl-1H-indole (116325-48-5) → 2,3-bis(bromomethyl)-1-(phenylsulfonyl)indole (168326-89-4)

Guidance literature:

With N-Bromosuccinimide; Perbenzoic acid; In tetrachloromethane; for 2h; Heating;

DOI:10.1080/00397919508015444

upstream raw materials:

2,3-dimethylindole

benzenesulfonyl chloride

Downstream raw materials:

cis-2,3-dimethyl-1-(phenylsulfonyl)indoline

trans-2,3-dimethyl-1-(phenylsulfonyl)indoline

1-(Phenylsulfonyl)-3-methyl-2-(bromomethyl)indole

2,3-bis(bromomethyl)-1-(phenylsulfonyl)indole