N-{4-[(Benzenesulfonyl)amino]-3-cyanophenyl}-2-bromoacetamide

Base Information

Chemical Name:N-{4-[(Benzenesulfonyl)amino]-3-cyanophenyl}-2-bromoacetamide
CAS No.:86785-40-2
Molecular Formula:C15H12BrN3O3S
Molecular Weight:394.249
Hs Code.:
DSSTox Substance ID:DTXSID80522210
Wikidata:Q82387284

Synonyms:86785-40-2;DTXSID80522210;N-{4-[(Benzenesulfonyl)amino]-3-cyanophenyl}-2-bromoacetamide

Suppliers and Price of N-{4-[(Benzenesulfonyl)amino]-3-cyanophenyl}-2-bromoacetamide

Supply Marketing:

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

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Chemical Property of N-{4-[(Benzenesulfonyl)amino]-3-cyanophenyl}-2-bromoacetamide

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:392.97828
Heavy Atom Count:23
Complexity:560

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)NC(=O)CBr)C#N

Technology Process of N-{4-[(Benzenesulfonyl)amino]-3-cyanophenyl}-2-bromoacetamide

There total 3 articles about N-{4-[(Benzenesulfonyl)amino]-3-cyanophenyl}-2-bromoacetamide 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: 73.0%

: 86785-36-6
2'-cyano-4'-aminobenzenesulfonanilide

: 598-21-0
2-Bromoacetyl bromide

: 86785-40-2
2'-cyano-4'-(bromoacetamido)benzenesulfonanilide

Guidance literature:: With sodium 2-bromoacetate; In acetonitrile; for 24h; Ambient temperature;
DOI:10.1021/jo00167a002

Reference yield:

: 86802-67-7
2'-cyano-4'-nitrobenzenesulfonanilide

: 86785-40-2
2'-cyano-4'-(bromoacetamido)benzenesulfonanilide

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / sodium dithionite / methanol; aq. NH₃ / 1.) 30 min, 2.) refrigerator, 1 h

2: 73 percent / sodium bromoacetate / acetonitrile / 24 h / Ambient temperature

With sodium dithionite; sodium 2-bromoacetate; In methanol; ammonium hydroxide; acetonitrile;
DOI:10.1021/jo00167a002

Reference yield:

: 98-09-9
benzenesulfonyl chloride

: 86785-40-2
2'-cyano-4'-(bromoacetamido)benzenesulfonanilide

Guidance literature:: Multi-step reaction with 3 steps

1: 95 percent / pyridine / 36 h / 85 °C

2: 80 percent / sodium dithionite / methanol; aq. NH₃ / 1.) 30 min, 2.) refrigerator, 1 h

3: 73 percent / sodium bromoacetate / acetonitrile / 24 h / Ambient temperature

With pyridine; sodium dithionite; sodium 2-bromoacetate; In methanol; ammonium hydroxide; acetonitrile;
DOI:10.1021/jo00167a002