1H-Indole, 2-phenyl-1-(phenylsulfonyl)-

Base Information

• Chemical Name: 1H-Indole, 2-phenyl-1-(phenylsulfonyl)-
• CAS No.: 114650-12-3
• Molecular Formula: C20H15NO2S
• Molecular Weight: 333.411
• DSSTox Substance ID: DTXSID20451914
• Nikkaji Number: J701.998J
• Wikidata: Q82272208
• Mol file: 114650-12-3.mol

Synonyms:114650-12-3;2-phenyl-1-(phenylsulfonyl)-1H-indole;1-(benzenesulfonyl)-2-phenyl-1H-indole;1H-Indole, 2-phenyl-1-(phenylsulfonyl)-;SCHEMBL3558164;DTXSID20451914;1-(Phenylsulfonyl)-2-phenyl-1H-indole

Chemical Property of 1H-Indole, 2-phenyl-1-(phenylsulfonyl)-

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 333.08234989
• Heavy Atom Count: 24
• Complexity: 514

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4

Technology Process of 1H-Indole, 2-phenyl-1-(phenylsulfonyl)-

There total 25 articles about 1H-Indole, 2-phenyl-1-(phenylsulfonyl)- 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: 100.0%

bromobenzene (108-86-1,52753-63-6) + 2-(trimethylstannyl)-N-(benzenesulfonyl)indole → 2-phenyl-1-(phenylsulfonyl)-1H-indole (114650-12-3)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; at 100 ℃; for 12h;

DOI:10.1016/j.tet.2008.09.101

Reference yield: 96.0%

N-(2-phenylethynyl-phenyl)-benzenesulfonamide (215997-61-8) → 2-phenyl-1-(phenylsulfonyl)-1H-indole (114650-12-3)

Guidance literature:

With diethylzinc; In toluene; for 3h; Heating;

DOI:10.1021/jo070681h

Reference yield: 90.0%

Trifluoro-acetic acid 1-benzenesulfonyl-1H-indol-2-yl ester + phenylboronic acid (98-80-6) → 2-phenyl-1-(phenylsulfonyl)-1H-indole (114650-12-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydrogencarbonate; In ethanol; toluene; Heating;

DOI:10.1080/00397919608004639

upstream raw materials:

iodobenzene

2-iodo-1-(phenylsulfonyl)-1H-indole

1-benzenesulfonylindole

phenylboronic acid

Downstream raw materials:

2-phenyl-indole

1-benzenesulfonyl-2-phenyl-1H-indol-3-ol

3-bromo-2-phenyl-1-(phenylsulfonyl)-1H-indole