2-(Acetylamino)-5-(aminosulphonyl)-4-chlorobenzoic acid

Base Information

• Chemical Name: 2-(Acetylamino)-5-(aminosulphonyl)-4-chlorobenzoic acid
• CAS No.: 17560-54-2
• Molecular Formula: C9H9 Cl N2 O5 S
• Molecular Weight: 292.7
• Hs Code.: 2935009090
• European Community (EC) Number: 241-540-9
• UNII: 24G2S82BCD
• DSSTox Substance ID: DTXSID50170005
• Nikkaji Number: J287.078I
• Wikidata: Q83039848
• Mol file: 17560-54-2.mol

Synonyms:17560-54-2;2-(Acetylamino)-5-(aminosulphonyl)-4-chlorobenzoic acid;2-acetamido-4-chloro-5-sulfamoylbenzoic acid;24G2S82BCD;EINECS 241-540-9;2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid;C9H9ClN2O5S;UNII-24G2S82BCD;SCHEMBL10721376;C9-H9-Cl-N2-O5-S;DTXSID50170005;FT-0765648;EN300-18737925;2-(Acetylamino)-4-chloro-5-(sulfamoyl)benzoic acid;4-CHLORO-2-ACETAMIDO-5-SULFAMOYLBENZOIC ACID;N-ACETYL-4-CHLORO-5-SULFAMOYLANTHRANILIC ACID;Benzoic acid, 2-(acetylamino)-5-(aminosulfonyl)-4-chloro-

Chemical Property of 2-(Acetylamino)-5-(aminosulphonyl)-4-chlorobenzoic acid

Chemical Property:

• Melting Point: 254-256 °C
• Boiling Point: °Cat760mmHg
• PKA: 2.73±0.10(Predicted)
• Flash Point: °C
• PSA: 138.43000
• Density: 1.663g/cm³
• LogP: 3.07460
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 291.9920703
• Heavy Atom Count: 18
• Complexity: 446

Purity/Quality:

99% ^*data from raw suppliers

2-(ACETYLAMINO)-5-(AMINOSULPHONYL)-4-CHLOROBENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)Cl

Technology Process of 2-(Acetylamino)-5-(aminosulphonyl)-4-chlorobenzoic acid

There total 3 articles about 2-(Acetylamino)-5-(aminosulphonyl)-4-chlorobenzoic 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:

6-acetylamino-4-chloro-toluene-3-sulfonic acid amide (17560-53-1) → 2-acetylamino-4-chloro-5-sulfamoyl-benzoic acid (17560-54-2)

Guidance literature:

With potassium permanganate;

DOI:10.1021/ja01529a062

Reference yield:

N-(5-chloro-2-methylphenyl)acetamide (5900-55-0) → 2-acetylamino-4-chloro-5-sulfamoyl-benzoic acid (17560-54-2)

Guidance literature:

Multi-step reaction with 2 steps

1: ClSO₃H; aqueous NH₃

2: aqueous KMnO₄

With chlorosulfonic acid; ammonium hydroxide; potassium permanganate;

DOI:10.1021/ja01529a062

Reference yield:

→ 2-acetylamino-4-chloro-5-sulfamoyl-benzoic acid (17560-54-2)

Guidance literature:

5-Chlor-2-methyl-4-sulfamylacetanilid, 1) MgSO4 * 7 H2O, 2) KMnO4;

DOI:10.1021/jm00299a022

upstream raw materials:

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

N-(5-chloro-2-methylphenyl)acetamide

Downstream raw materials:

4-chloro-5-sulfamoylanthranilic acid

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

2-Amino-4-chloro-5-sulfamoylbenzamide

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