Benzolamide

Base Information

• Chemical Name: Benzolamide
• CAS No.: 3368-13-6
• Molecular Formula: C8H8 N4 O4 S3
• Molecular Weight: 320.374
• Hs Code.: 2935009090
• UNII: FC5AAH89R5
• DSSTox Substance ID: DTXSID10187356
• Nikkaji Number: J7.724K
• Wikidata: Q27075059
• NCI Thesaurus Code: C96537
• Pharos Ligand ID: ZGVGK5TBVDVU
• Metabolomics Workbench ID: 150234
• ChEMBL ID: CHEMBL73962
• Mol file: 3368-13-6.mol

Synonyms:Benzolamide;CL 11366;CL-11366;CL11366

Chemical Property of Benzolamide

Chemical Property:

• Vapor Pressure: 1.03E-13mmHg at 25°C
• Melting Point: 239.5°C (rough estimate)
• Refractive Index: 1.5690 (estimate)
• Boiling Point: 585.9°Cat760mmHg
• PKA: 4.42±0.40(Predicted)
• Flash Point: 308.2°C
• PSA: 177.11000
• Density: 1.746g/cm³
• LogP: 2.92120
• Water Solubility.: 384.4mg/L(25 oC)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 319.97076827
• Heavy Atom Count: 19
• Complexity: 503

Purity/Quality:

97% ^*data from raw suppliers

5-(Phenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide 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)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N

Technology Process of Benzolamide

There total 2 articles about Benzolamide 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: 15.5%

5-amino-1, 3, 4-thiadiazole-2-sulfonamide (14949-00-9) + benzenesulfonyl chloride (98-09-9) → benzolamide (3368-13-6)

Guidance literature:

With sodium hydroxide; In water; acetone; at 0 - 5 ℃;

DOI:10.1016/j.bmc.2011.03.061

Reference yield:

→ benzolamide (3368-13-6)

Guidance literature:

Reference yield: 40.0%

copper(II) nitrate trihydrate + benzolamide (3368-13-6) + 3-azapentane-1,5-diamine (111-40-0,98824-35-2) → Cu(C6H5SO2NC2SN2SO2NH2)2(HN(CH2CH2NH2)2) (278606-27-2)

Guidance literature:

In ethanol; diethylenetriamine was added to ethanolic soln. of Cu-salt and benzolamide, Cu:benzolamide:dien molar ratio was 1:2:1; solid was filtered, filtrate was cooled and left to stand at 4 °for few days, crystals were filtered, washed with cooled ethanol, driedin vac., elem. anal.;

DOI:10.1016/S0277-5387(00)00319-3

upstream raw materials:

5-amino-1, 3, 4-thiadiazole-2-sulfonamide

benzenesulfonyl chloride

Downstream raw materials:

Cu(NH₃)4(C₆H₅SO₂N(C₂N₂S)SO₂NH)

Cu(C₆H₅SO₂NC₂SN₂SO₂NH₂)2(HN(CH₂CH₂NH₂)2)

Zn(C₆H₅SO₂NC₂SN₂SO₂NH₂)2(HN(CH₂CH₂NH₂)2)

Cu(C₆H₅SO₂N(C₂N₂S)SO₂NH)(diethylenetriamine)(H₂O)