Carzenide

Base Information

• Chemical Name: Carzenide
• CAS No.: 138-41-0
• Molecular Formula: C7H7NO4S
• Molecular Weight: 201.203
• Hs Code.: 29163990
• European Community (EC) Number: 205-327-4,937-141-0
• NSC Number: 758886,683540,22976
• UNII: 30Z5HQB5A4
• DSSTox Substance ID: DTXSID1045089
• Nikkaji Number: J5.633B
• Wikidata: Q27255987
• NCI Thesaurus Code: C166618
• Pharos Ligand ID: 15ZJMS2AYYLL
• ChEMBL ID: CHEMBL414
• Mol file: 138-41-0.mol

Synonyms:Benzoicacid, p-sulfamoyl- (6CI,7CI,8CI);Benzoic acid, p-sulfamyl- (4CI);4-Carboxybenzenesulfonamide;Benzoic acid p-sulfamide;Dirnate;NSC 22976;NSC 683540;p-Aminobenzoic acid sulfamide;p-Carboxybenzenesulfonamide;p-Sulfamoylbenzoic acid;p-Sulfonamidobenzoic acid;

Chemical Property of Carzenide

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 7.56E-09mmHg at 25°C
• Melting Point: 285-295 °C(lit.)
• Refractive Index: 1.6100 (estimate)
• Boiling Point: 449 °C at 760 mmHg
• PKA: 3.50(at 25℃)
• Flash Point: 225.4 °C
• PSA: 105.84000
• Density: 1.536 g/cm³
• LogP: 1.81330
• Storage Temp.: Store at RT.
• Solubility.: 0.5g/l
• Water Solubility.: 453 mg/L (25 ºC)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 201.00957888
• Heavy Atom Count: 13
• Complexity: 284

Purity/Quality:

99.9% ^*data from raw suppliers

4-Sulfamoylbenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/21/22
• Safety Statements: 22-24/25-36/37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: C1=CC(=CC=C1C(=O)O)S(=O)(=O)N
• Uses: diuretic, carbonic anhydrase inhibitor 4-Sulfamoylbenzoic Acid is used as a reagent in the synthesis of carbonic anhydrase inhibitors anticonvulsant agents.

Technology Process of Carzenide

There total 22 articles about Carzenide 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: 97.0%

p-carboxybenzenesulfonyl azide (17202-49-2) → 4-(aminosulfonyl)-benzoic acid (138-41-0)

Guidance literature:

With sodium tetrahydroborate; cetyltrimethylammonim bromide; cobalt(II) chloride; In water; at 25 ℃; for 0.166667h;

DOI:10.1055/s-2000-6389

Reference yield: 94.0%

C7H9NO5S → 4-(aminosulfonyl)-benzoic acid (138-41-0)

Guidance literature:

With gadolinium(III) oxide; 2-methyl-4-hydroxy-3,6-dimethyloltoluene; acetylacetone; at 50 - 78 ℃; for 1.83333h; Temperature;

Reference yield: 60.0%

p-carboxyphenyl diazonium tetrafluoroborate (456-25-7) → 4-(aminosulfonyl)-benzoic acid (138-41-0)

Guidance literature:

With sodium metabisulfite; sodium azide; tetrabutylammomium bromide; triphenylphosphine; In water; acetonitrile; at 80 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c8gc03014f

upstream raw materials:

4-formyl-benzenesulfonamide

p-carboxyphenylsulfonyl chloride

4-bromo-benzenesulfonic acid amide

sodium tosylate

Downstream raw materials:

methyl 4-sulfamoylbenzoate

4-sulfamoyl-benzoic acid propyl ester

4-sulfamoylbenzoic acid ethyl ester

4-[(dipropylamino)sulfonyl]benzoic acid

Refernces

• 1、 Gilman,Melstrom. "-". . p. 4177. Retrieved 1948.
• 2、 Ojha, Subhadra,Panda, Niranjan. "Palladium-Catalyzed ortho-Benzoylation of Sulfonamides through C?H Activation: Expedient Synthesis of Cyclic N-Sulfonyl Ketimines". . p. 561 - 571. Retrieved 2019/12/24.
• 3、 -. "Drug synthesis intermediate carzenide synthesis method". Paragraph 0014; 0018-0029. . Retrieved 2018/07/30.