2-(4-Chloro-3-sulphamoylbenzoyl)benzoic acid

Base Information

• Chemical Name: 2-(4-Chloro-3-sulphamoylbenzoyl)benzoic acid
• CAS No.: 5270-74-6
• Molecular Formula: C14H10 Cl N O5 S
• Molecular Weight: 339.756
• Hs Code.: 2935009090
• European Community (EC) Number: 226-089-8
• UNII: 8BC301DXU3
• DSSTox Substance ID: DTXSID00200669
• Nikkaji Number: J297.969A
• Wikidata: Q83073815
• Mol file: 5270-74-6.mol

Synonyms:5270-74-6;2-(4-chloro-3-sulfamoylbenzoyl)benzoic acid;2-(4-Chloro-3-sulphamoylbenzoyl)benzoic acid;8BC301DXU3;EINECS 226-089-8;4'-Chloro-3'-sulfamoyl-2-benzophenone carboxylic acid;Benzoic acid, 2-(3-(aminosulfonyl)-4-chlorobenzoyl)-;Benzoic acid, 2-[3-(aminosulfonyl)-4-chlorobenzoyl]-;2-[3-(Aminosulfonyl)-4-chlorobenzoyl]benzoic acid;2-(3-(AMINOSULFONYL)-4-CHLOROBENZOYL)BENZOIC ACID;Chlorthalidone Impurity B;C14H10ClNO5S;UNII-8BC301DXU3;SCHEMBL11105654;DTXSID00200669;C14-H10-Cl-N-O5-S;MFCD09753828;AKOS027323774;SB83373;AS-66300;2-(4-chloro-3-sulfamoylbenzoyl)benzoicacid;W13428;EN300-24486735;2-[3-(Aminosulfonyl)-4-chlorobenzoyl]-benzonic Acid;BENZOIC ACID, O-(4-CHLORO-3-SULFAMOYLBENZOYL)-

Chemical Property of 2-(4-Chloro-3-sulphamoylbenzoyl)benzoic acid

Chemical Property:

• Vapor Pressure: 3.51E-17mmHg at 25°C
• Boiling Point: 638.6°Cat760mmHg
• Flash Point: 340°C
• PSA: 122.91000
• Density: 1.537g/cm³
• LogP: 3.69770
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 338.9968213
• Heavy Atom Count: 22
• Complexity: 544

Purity/Quality:

98%Min ^*data from raw suppliers

2-[3-(Aminosulfonyl)-4-chlorobenzoyl]-benzonicAcid ^*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)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C(=O)O
• Uses: 2-[3-(Aminosulfonyl)-4-chlorobenzoyl]-benzonic Acid is a potential metabolite of Chlorthalidone.

Technology Process of 2-(4-Chloro-3-sulphamoylbenzoyl)benzoic acid

There total 5 articles about 2-(4-Chloro-3-sulphamoylbenzoyl)benzoic 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:

chlorthalidon (77-36-1) → 2-(4-chloro-3-sulfamoyl-benzoyl)-benzoic acid (5270-74-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1002/hlca.19590420344

Reference yield:

2-(4-chloro-3-chlorosulfonyl-benzoyl)-benzoic acid (68592-12-1) → 2-(4-chloro-3-sulfamoyl-benzoyl)-benzoic acid (5270-74-6)

Guidance literature:

With ammonia; water;

DOI:10.1002/hlca.19590420344

Reference yield:

NSC 74496 (118-04-7) → 2-(4-chloro-3-sulfamoyl-benzoyl)-benzoic acid (5270-74-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous HCl; acetic acid; NaNO₂ / und anschliessed mit SO₂ und CuCl₂

2: water; NH₃

With hydrogenchloride; ammonia; water; acetic acid; sodium nitrite;

DOI:10.1002/hlca.19590420344

upstream raw materials:

chlorthalidon

2-(4-chloro-3-chlorosulfonyl-benzoyl)-benzoic acid

NSC 74496

Downstream raw materials:

2-chloro-5-phthalidyl-benzenesulfonic acid amide

2-chloro-5-(1-chloro-3-oxo-phthalan-1-yl)-benzenesulfonic acid amide

2-(4-chloro-3-sulfamoyl-benzoyl)-benzoic acid methyl ester

Refernces