1-[2-Chloro-1-(phenylsulfonyl)-1H-indol-3-yl]ethanone

Base Information

Chemical Name:1-[2-Chloro-1-(phenylsulfonyl)-1H-indol-3-yl]ethanone
CAS No.:121963-40-4
Molecular Formula:C₁₆H₁₂ClNO₃S
Molecular Weight:333.795
Hs Code.:
DSSTox Substance ID:DTXSID301213673
Nikkaji Number:J2.937.414G

Synonyms:DTXSID301213673;121963-40-4;1-[2-Chloro-1-(phenylsulfonyl)-1H-indol-3-yl]ethanone

Suppliers and Price of 1-[2-Chloro-1-(phenylsulfonyl)-1H-indol-3-yl]ethanone

Supply Marketing:

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

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Chemical Property of 1-[2-Chloro-1-(phenylsulfonyl)-1H-indol-3-yl]ethanone

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:333.0226421
Heavy Atom Count:22
Complexity:524

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)C1=C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)Cl

Technology Process of 1-[2-Chloro-1-(phenylsulfonyl)-1H-indol-3-yl]ethanone

There total 2 articles about 1-[2-Chloro-1-(phenylsulfonyl)-1H-indol-3-yl]ethanone 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: 71.0%

: 108-24-7
acetic anhydride

: 121963-38-0
2-chloro-1-(phenylsulfonyl)indole

: 121963-40-4
1-(2-chloro-1-(phenylsulfonyl)-1H-indol-3-yl)ethanone

Guidance literature:: With aluminium trichloride; In dichloromethane; for 1h;
DOI:10.1021/jo00279a023

Reference yield:

: 40899-71-6
1-benzenesulfonylindole

: 121963-40-4
1-(2-chloro-1-(phenylsulfonyl)-1H-indol-3-yl)ethanone

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) lithium diisopropylamide, 2.) benzenesulfonyl chloride / 1.) hexane, THF, -70 deg C, 1.5 h, 2.) from -75 deg C to RT, overnight

2: 71 percent / aluminum chloride / CH₂Cl₂ / 1 h

With aluminium trichloride; benzenesulfonyl chloride; lithium diisopropyl amide; In dichloromethane;
DOI:10.1021/jo00279a023

Reference yield: 95.0%

: 55-21-0,27208-38-4
benzamide

: 121963-40-4
1-(2-chloro-1-(phenylsulfonyl)-1H-indol-3-yl)ethanone

: 1268673-01-3
N-(3-acetyl-1-(phenylsulfonyl)-1H-indol-2-yl)benzamide

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In tert-butyl alcohol; at 110 ℃; for 6h; Pressure tube;
DOI:10.1021/ol2000827