4-Bromo-3-(diethylsulfamoyl)-5-methylbenzoic acid

Base Information

Chemical Name:4-Bromo-3-(diethylsulfamoyl)-5-methylbenzoic acid
CAS No.:849333-59-1
Molecular Formula:C₁₂H₁₆BrNO₄S
Molecular Weight:350.233
Hs Code.:
DSSTox Substance ID:DTXSID401204447

Synonyms:849333-59-1;DTXSID401204447;4-Bromo-3-[(diethylamino)sulfonyl]-5-methylbenzoic acid

Suppliers and Price of 4-Bromo-3-(diethylsulfamoyl)-5-methylbenzoic acid

Supply Marketing:

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

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Chemical Property of 4-Bromo-3-(diethylsulfamoyl)-5-methylbenzoic acid

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:348.99834
Heavy Atom Count:19
Complexity:416

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCN(CC)S(=O)(=O)C1=C(C(=CC(=C1)C(=O)O)C)Br

Technology Process of 4-Bromo-3-(diethylsulfamoyl)-5-methylbenzoic acid

There total 2 articles about 4-Bromo-3-(diethylsulfamoyl)-5-methylbenzoic acid 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:

: 7697-28-1
4-bromo-3-methylbenzoic acid

: 849333-59-1
4-bromo-3-diethylsulfamoyl-5-methylbenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: chlorosulfonic acid / 4 h / 140 °C

2: ethyl acetate / 24 h / 20 °C

With chlorosulfonic acid; In ethyl acetate;
DOI:10.1021/jm049141s

Reference yield:

: 109-89-7
diethylamine

: 849333-58-0
4-bromo-3-chlorosulfonyl-5-methyl-benzoic acid

: 849333-59-1
4-bromo-3-diethylsulfamoyl-5-methylbenzoic acid

Guidance literature:: In ethyl acetate; at 20 ℃; for 24h;
DOI:10.1021/jm049141s

Reference yield:

: 849333-59-1
4-bromo-3-diethylsulfamoyl-5-methylbenzoic acid

: 2-(4-bromo-3-diethylsulfamoyl-5-methyl-benzoylamino)-benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: thionyl chloride; DMF / Heating

2: pyridine / 24 h / 20 °C

3: aq. NaOH / methanol; tetrahydrofuran

With pyridine; sodium hydroxide; thionyl chloride; N,N-dimethyl-formamide; In tetrahydrofuran; methanol;
DOI:10.1021/jm049141s