Ethyl 1-(benzenesulfonyl)-1H-indole-5-carboxylate

Base Information

Chemical Name:Ethyl 1-(benzenesulfonyl)-1H-indole-5-carboxylate
CAS No.:118757-13-4
Molecular Formula:C17H15NO4S
Molecular Weight:329.376
Hs Code.:
DSSTox Substance ID:DTXSID40556036
Wikidata:Q82437504
Mol file:118757-13-4.mol

Synonyms:118757-13-4;Ethyl 1-(benzenesulfonyl)-1H-indole-5-carboxylate;DTXSID40556036

Suppliers and Price of Ethyl 1-(benzenesulfonyl)-1H-indole-5-carboxylate

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

Total 1 raw suppliers

Chemical Property of Ethyl 1-(benzenesulfonyl)-1H-indole-5-carboxylate

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:329.07217913
Heavy Atom Count:23
Complexity:521

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC2=C(C=C1)N(C=C2)S(=O)(=O)C3=CC=CC=C3

Technology Process of Ethyl 1-(benzenesulfonyl)-1H-indole-5-carboxylate

There total 5 articles about Ethyl 1-(benzenesulfonyl)-1H-indole-5-carboxylate 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: 16.0%

: 118757-06-5
1-Benzenesulfonyl-2,3-dihydro-1H-indole-5-carboxylic acid ethyl ester

: 118757-13-4
ethyl 1-phenylsulfonylindole-5-carboxylate

Guidance literature:: With manganese triacetate; In acetic acid; at 110 ℃;
DOI:10.1016/S0040-4039(00)86696-4

Reference yield:

: 32996-16-0
ethyl indole-5-carboxylate

: 118757-13-4
ethyl 1-phenylsulfonylindole-5-carboxylate

Guidance literature:: ethyl indole-5-carboxylate; With tetrabutylammonium salt; In dichloromethane; at 0 - 5 ℃; for 0.166667h; Alkaline conditions;

benzenesulfonyl halide; In dichloromethane; at 20 - 30 ℃;
DOI:10.1016/j.bioorg.2019.02.048

Reference yield:

: 1670-81-1,142396-03-0
1H-Indole-5-carboxylic acid

: 118757-13-4
ethyl 1-phenylsulfonylindole-5-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: thionyl chloride / 2 h / Reflux

2.1: tetrabutylammonium salt / dichloromethane / 0.17 h / 0 - 5 °C / Alkaline conditions

2.2: 20 - 30 °C

With thionyl chloride; In dichloromethane;
DOI:10.1016/j.bioorg.2019.02.048