4-Chloro-5-sulfamoylanthranilic acid

Base Information

• Chemical Name: 4-Chloro-5-sulfamoylanthranilic acid
• CAS No.: 3086-91-7
• Molecular Formula: C7H7 Cl N2 O4 S
• Molecular Weight: 250.663
• Hs Code.: 2935909550
• European Community (EC) Number: 221-408-7
• UNII: CQE8131SF0
• DSSTox Substance ID: DTXSID60184875
• Nikkaji Number: J217.252F
• Wikidata: Q27275645
• Mol file: 3086-91-7.mol

Synonyms:4-chloro-5-sulfamoylanthranilic acid

Chemical Property of 4-Chloro-5-sulfamoylanthranilic acid

Chemical Property:

• Appearance/Colour: powder
• Vapor Pressure: 6.74E-13mmHg at 25°C
• Melting Point: 268-271?C (dec.)
• Refractive Index: 1.665
• Boiling Point: 549.2°Cat760mmHg
• PKA: 4.18±0.10(Predicted)
• Flash Point: 286°C
• PSA: 131.86000
• Density: 1.726g/cm³
• LogP: 2.63010
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 556mg/L(25 oC)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 249.9815056
• Heavy Atom Count: 15
• Complexity: 353

Purity/Quality:

98%min ^*data from raw suppliers

Saluamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1S(=O)(=O)N)Cl)N)C(=O)O
• Uses: A metabolite of Furosemide A metabolite of Furosemide.

Technology Process of 4-Chloro-5-sulfamoylanthranilic acid

There total 8 articles about 4-Chloro-5-sulfamoylanthranilic 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: 53.0%

4-chloro-2-furfurylamino-5-sulfamoyl-benzoic acid (54-31-9) → 4-chloro-5-sulfamoylanthranilic acid (3086-91-7)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 72h;

Reference yield: 38.0%

methanol (67-56-1) + 4-chloro-2-furfurylamino-5-sulfamoyl-benzoic acid (54-31-9) → 4-chloro-2-[(2,5-dimethoxy-2,5-dihydro-furan-2-ylmethyl)-amino]-5-sulfamoyl-benzoic acid (1351169-05-5) + 4-chloro-5-sulfamoylanthranilic acid (3086-91-7)

Guidance literature:

With N,N,N,N-tetraethylammonium tetrafluoroborate; ammonium bromide; at 20 ℃; Electrochemical reaction;

DOI:10.1016/j.tet.2011.10.006

Reference yield:

methanol (67-56-1) + 4-chloro-2-furfurylamino-5-sulfamoyl-benzoic acid (54-31-9) → 2-furfurylamino-5-sulfamoyl-benzoic acid (4818-85-3) + 2-amino-5-sulfamoylbenzoic acid (137-65-5) + 4-chloro-5-sulfamoylanthranilic acid (3086-91-7) + 2-Amino-4-methoxy-5-sulfamoyl-benzoic acid + 2-[(Furan-2-ylmethyl)-amino]-4-methoxy-5-sulfamoyl-benzoic acid

Guidance literature:

at 30 ℃; for 0.166667h; Mechanism; Quantum yield; Irradiation;

DOI:10.1111/j.2042-7158.1983.tb04816.x

upstream raw materials:

2-acetylamino-4-chloro-5-sulfamoyl-benzoic acid

4-chloro-2-furfurylamino-5-sulfamoyl-benzoic acid

methanol

6-acetylamino-4-chloro-toluene-3-sulfonic acid amide

Downstream raw materials:

2-Amino-4-chloro-5-sulfamoylbenzamide

4-chloro-5-sulfamoyl-2-ureido-benzoic acid

2-ethoxycarbonylamino-4-chloro-5-sulfamoyl-benzoic acid ethyl ester

7-chloro-2,4-dioxo-1,4-dihydro-2H-benzo[d][1,3]oxazine-6-sulfonic acid amide