Phenyl 5-(aminosulfonyl)-4-chloro-2-fluorobenzenesulfonate

Base Information

Chemical Name:Phenyl 5-(aminosulfonyl)-4-chloro-2-fluorobenzenesulfonate
CAS No.:85958-58-3
Molecular Formula:C₁₂H₉ClFNO₅S₂
Molecular Weight:365.791
Hs Code.:
DSSTox Substance ID:DTXSID901192110

Synonyms:DTXSID901192110;Phenyl 5-(aminosulfonyl)-4-chloro-2-fluorobenzenesulfonate;85958-58-3

Suppliers and Price of Phenyl 5-(aminosulfonyl)-4-chloro-2-fluorobenzenesulfonate

Supply Marketing:

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

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Chemical Property of Phenyl 5-(aminosulfonyl)-4-chloro-2-fluorobenzenesulfonate

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:364.9594706
Heavy Atom Count:22
Complexity:580

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2F)Cl)S(=O)(=O)N

Technology Process of Phenyl 5-(aminosulfonyl)-4-chloro-2-fluorobenzenesulfonate

There total 8 articles about Phenyl 5-(aminosulfonyl)-4-chloro-2-fluorobenzenesulfonate 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: 66.0%

: 69156-34-9
4-Chlor-2-fluor-5-sulfamoylbenzolsulfochlorid

: 108-95-2,27073-41-2
phenol

: 85958-58-3
phenyl 4-chloro-2-fluoro-5-sulfamoylbenzenesulfonale

Guidance literature:: With triethylamine; In tetrahydrofuran; Ambient temperature;
DOI:10.1021/jm00362a017

Reference yield:

: 2106-02-7
2-chloro-4-fluoroaniline

: 85958-58-3
phenyl 4-chloro-2-fluoro-5-sulfamoylbenzenesulfonale

Guidance literature:: Multi-step reaction with 8 steps

1: 1.) NaNO₂, HCl, 2.) CuCl₂*2H₂O, HOAc, SO₂ / 1.) H₂O, 2.) H₂O, RT

2: 90 percent / NH₃ / Ambient temperature

3: 87 percent / dimethylformamide / 30 h / 60 °C

4: 94 percent / fuming sulfuric acid (20percent SO₂), fuming HNO₃ / 2 h / 55 °C

5: 90 percent / H₂ / 5percent Pd/C / tetrahydrofuran / 20 °C / 75.01 Torr

6: 91 percent / 2N aq. NaOH / methanol / 1 h / Ambient temperature

7: 1.) NaNO₂, HCl, HOAc, 2.) CuCl₂*2H₂O, HOAc, SO₂ / 1.) H₂O, 2.) H₂O

8: 66 percent / Et₃N / tetrahydrofuran / Ambient temperature

With hydrogenchloride; sodium hydroxide; sulfuric acid; sulfur dioxide; sulfur trioxide; ammonia; hydrogen; nitric acid; acetic acid; triethylamine; sodium nitrite; palladium on activated charcoal; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00362a017

Reference yield:

: 69156-31-6
C₉H₁₀ClFN₂O₂S

: 85958-58-3
phenyl 4-chloro-2-fluoro-5-sulfamoylbenzenesulfonale

Guidance literature:: Multi-step reaction with 5 steps

1: 94 percent / fuming sulfuric acid (20percent SO₂), fuming HNO₃ / 2 h / 55 °C

2: 90 percent / H₂ / 5percent Pd/C / tetrahydrofuran / 20 °C / 75.01 Torr

3: 91 percent / 2N aq. NaOH / methanol / 1 h / Ambient temperature

4: 1.) NaNO₂, HCl, HOAc, 2.) CuCl₂*2H₂O, HOAc, SO₂ / 1.) H₂O, 2.) H₂O

5: 66 percent / Et₃N / tetrahydrofuran / Ambient temperature

With hydrogenchloride; sodium hydroxide; sulfuric acid; sulfur dioxide; sulfur trioxide; hydrogen; nitric acid; acetic acid; triethylamine; sodium nitrite; palladium on activated charcoal; In tetrahydrofuran; methanol;
DOI:10.1021/jm00362a017