Phenyl 2,4-dichloro-5-sulphamoylbenzenesulphonate

Base Information

• Chemical Name: Phenyl 2,4-dichloro-5-sulphamoylbenzenesulphonate
• CAS No.: 80289-32-3
• Molecular Formula: C12H9 Cl2 N O5 S2
• Molecular Weight: 382.245
• European Community (EC) Number: 279-443-9
• DSSTox Substance ID: DTXSID001001148
• Nikkaji Number: J320.259C
• Wikidata: Q82994967
• Mol file: 80289-32-3.mol

Synonyms:80289-32-3;EINECS 279-443-9;Phenyl 2,4-dichloro-5-sulphamoylbenzenesulphonate;phenyl 2,4-dichloro-5-sulfamoylbenzenesulfonate;C12H9Cl2NO5S2;SCHEMBL11223463;DTXSID001001148;C12-H9-Cl2-N-O5-S2;Phenyl 2,4-dichloro-5-sulfamoylbenzene-1-sulfonate;5-Aminosulfonyl-2,4-dichlorobenzenesulfonic acid phenyl ester

Chemical Property of Phenyl 2,4-dichloro-5-sulphamoylbenzenesulphonate

Chemical Property:

• Vapor Pressure: 8.5E-14mmHg at 25°C
• Boiling Point: 587.8°C at 760 mmHg
• Flash Point: 309.3°C
• PSA: 120.29000
• Density: 1.62g/cm³
• LogP: 5.27040
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 380.9299201
• Heavy Atom Count: 22
• Complexity: 578

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phenyl 2,4-dichloro-5-sulphamoylbenzenesulphonate

There total 1 articles about Phenyl 2,4-dichloro-5-sulphamoylbenzenesulphonate 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:

4,6-dichlorobenzene-1,3-disulfonyl chloride (61791-73-9) + phenol (108-95-2,27073-41-2) → phenyl 2,4-dichloro-5-sulfamoylbenzenesulfonate (80289-32-3)

Guidance literature:

With ammonia; Yield given. Multistep reaction; 1.) THF, 5-10 deg C, 2 h, 2.) MeOH, a) reflux, 10 min, b) RT, overnight;

DOI:10.1021/jm00362a017

Reference yield: 60.0%

Cyclohexanethiol (1569-69-3) + phenyl 2,4-dichloro-5-sulfamoylbenzenesulfonate (80289-32-3) → phenyl 2-chloro-4-(cyclohexylthio)-5-sulfamoylbenzenesulfonate (85958-60-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 115 ℃; for 1h;

DOI:10.1021/jm00362a017

Reference yield: 53.0%

phenyl 2,4-dichloro-5-sulfamoylbenzenesulfonate (80289-32-3) + N-methylaniline (100-61-8) → 2-Chloro-4-(methyl-phenyl-amino)-5-sulfamoyl-benzenesulfonic acid phenyl ester (80289-33-4)

Guidance literature:

at 140 ℃; for 6h;

DOI:10.1021/jm00362a017

upstream raw materials:

4,6-dichlorobenzene-1,3-disulfonyl chloride

phenol

Downstream raw materials:

phenyl 2-chloro-4-(cyclohexylthio)-5-sulfamoylbenzenesulfonate

2-Chloro-4-[(furan-2-ylmethyl)-amino]-5-sulfamoyl-benzenesulfonic acid phenyl ester

4-Chloro-2-phenoxy-5-sulfamoyl-benzenesulfonic acid phenyl ester

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