Benzoic acid, 2-(((4-bromophenyl)sulfonyl)amino)-

Base Information

• Chemical Name: Benzoic acid, 2-(((4-bromophenyl)sulfonyl)amino)-
• CAS No.: 51012-29-4
• Molecular Formula: C13H10 Br N O4 S
• Molecular Weight: 356.197
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID30199017
• ChEMBL ID: CHEMBL439922
• Mol file: 51012-29-4.mol

Synonyms:51012-29-4;2-(4-Bromo-benzenesulfonylamino)-benzoic acid;2-(4-bromobenzenesulfonamido)benzoic acid;BENZOIC ACID, 2-(((4-BROMOPHENYL)SULFONYL)AMINO)-;2-[(4-bromophenyl)sulfonylamino]benzoic acid;BRN 2390484;C13H10BrNO4S;CHEMBL439922;2-(((4-Bromophenyl)sulfonyl)amino)benzoic acid;2-{[(4-bromophenyl)sulfonyl]amino}benzoic acid;DTXSID30199017;C13-H10-Br-N-O4-S;BCA01229;BDBM50016577;MFCD00583502;AKOS000114683;2-(4-Bromophenylsulfonamido)benzoicacid;2-(4-Bromophenylsulfonamido)benzoic acid;LS-36243;CS-0218182;EN300-00326;Z45511827;(4-CHLORO-2-FLUORO-PHENYL)-CARBAMICACIDETHYLESTER

Chemical Property of Benzoic acid, 2-(((4-bromophenyl)sulfonyl)amino)-

Chemical Property:

• Vapor Pressure: 2.42E-11mmHg at 25°C
• Boiling Point: 512.9°Cat760mmHg
• Flash Point: 264°C
• PSA: 91.85000
• Density: 1.718g/cm³
• LogP: 4.10190
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 354.95139
• Heavy Atom Count: 20
• Complexity: 440

Purity/Quality:

98% ^*data from raw suppliers

2-(4-Bromophenylsulfonamido)benzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Br

Technology Process of Benzoic acid, 2-(((4-bromophenyl)sulfonyl)amino)-

There total 4 articles about Benzoic acid, 2-(((4-bromophenyl)sulfonyl)amino)- 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: 99.0%

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) + 4-bromobenzenesulfonyl chloride (98-58-8) → 2-((4-bromophenyl)sulfonamido)benzoic acid (51012-29-4)

Guidance literature:

With sodium carbonate; In water; at 60 ℃;

DOI:10.1039/c9md00088g

Reference yield: 58.0%

ethyl 2-((4-bromophenyl)sulfonamido)benzoate → 2-((4-bromophenyl)sulfonamido)benzoic acid (51012-29-4)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 40 ℃; for 16h; Inert atmosphere;

DOI:10.1002/cmdc.202000594

Reference yield:

4-bromobenzenesulfonyl chloride (98-58-8) + 2-ethoxycarbonylaniline (87-25-2) → 2-((4-bromophenyl)sulfonamido)benzoic acid (51012-29-4)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 1 h / 80 °C

2: lithium hydroxide monohydrate / tetrahydrofuran; water / 16 h / 40 °C / Inert atmosphere

With pyridine; lithium hydroxide monohydrate; In tetrahydrofuran; water;

DOI:10.1002/cmdc.202000594

upstream raw materials:

anthranilic acid

4-bromobenzenesulfonyl chloride

2-ethoxycarbonylaniline

Downstream raw materials:

2-(4-bromophenylsulfonamido)benzamide

2-amino-4'-bromobenzophenone

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