2-[5-(4-Cyanophenyl)-1-benzofuran-2-yl]ethyl 4-methylbenzenesulfonate

Base Information

Chemical Name:2-[5-(4-Cyanophenyl)-1-benzofuran-2-yl]ethyl 4-methylbenzenesulfonate
CAS No.:670342-24-2
Molecular Formula:C24H19NO4S
Molecular Weight:
Hs Code.:
DSSTox Substance ID:DTXSID90470995
Nikkaji Number:J2.316.286E
Wikidata:Q82299385

Synonyms:670342-24-2;2-[5-(4-cyanophenyl)-1-benzofuran-2-yl]ethyl 4-methylbenzenesulfonate;SCHEMBL6391577;DTXSID90470995;AHYBDZZDZWZAIN-UHFFFAOYSA-N

Suppliers and Price of 2-[5-(4-Cyanophenyl)-1-benzofuran-2-yl]ethyl 4-methylbenzenesulfonate

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 2-[5-(4-Cyanophenyl)-1-benzofuran-2-yl]ethyl 4-methylbenzenesulfonate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
XLogP3:5.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:417.10347926
Heavy Atom Count:30
Complexity:707

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C#N

Technology Process of 2-[5-(4-Cyanophenyl)-1-benzofuran-2-yl]ethyl 4-methylbenzenesulfonate

There total 3 articles about 2-[5-(4-Cyanophenyl)-1-benzofuran-2-yl]ethyl 4-methylbenzenesulfonate 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: 80.0%

: 98-59-9
p-toluenesulfonyl chloride

: 460746-48-9
4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]benzonitrile

: 670342-24-2
toluene-4-sulfonic acid 2-[5-(4-cyano-phenyl)benzofuran-2-yl]ethyl ester

Guidance literature:: With triethylamine; dmap; In acetonitrile; at 20 ℃; for 5h;

Reference yield:

: 460746-47-8
4'-hydroxy-3'-iodo[1,1'-biphenyl]-4-carbonitrile

: 670342-24-2
toluene-4-sulfonic acid 2-[5-(4-cyano-phenyl)benzofuran-2-yl]ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: palladium diacetate; copper(l) iodide; diisopropylamine; triphenylphosphine / Isopropyl acetate / 40 h / 45 °C / Inert atmosphere

2: dmap; triethylamine / acetonitrile / 6 h / 25 °C / Inert atmosphere; Large scale

With dmap; copper(l) iodide; palladium diacetate; triethylamine; diisopropylamine; triphenylphosphine; In Isopropyl acetate; acetonitrile;
DOI:10.1021/op049809c

Reference yield:

: 19812-93-2
4-Cyano-4'-hydroxybiphenyl

: 670342-24-2
toluene-4-sulfonic acid 2-[5-(4-cyano-phenyl)benzofuran-2-yl]ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: N-iodo-succinimide; sulfuric acid / acetic acid / 20 °C / Inert atmosphere

2: palladium diacetate; copper(l) iodide; diisopropylamine; triphenylphosphine / Isopropyl acetate / 40 h / 45 °C / Inert atmosphere

3: dmap; triethylamine / acetonitrile / 6 h / 25 °C / Inert atmosphere; Large scale

With dmap; N-iodo-succinimide; copper(l) iodide; sulfuric acid; palladium diacetate; triethylamine; diisopropylamine; triphenylphosphine; In Isopropyl acetate; acetic acid; acetonitrile;
DOI:10.1021/op049809c