4-Chloro-2-(4-methylbenzenesulfonamido)benzoic acid

Base Information

• Chemical Name: 4-Chloro-2-(4-methylbenzenesulfonamido)benzoic acid
• CAS No.: 31100-24-0
• Molecular Formula: C14H12 Cl N O4 S
• Molecular Weight: 325.773
• European Community (EC) Number: 250-467-1
• Nikkaji Number: J287.444J
• Mol file: 31100-24-0.mol

Synonyms:31100-24-0;4-chloro-2-(4-methylbenzenesulfonamido)benzoic acid;4-Chloro-2-(4-methylphenylsulfonamido)benzoic acid;4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoic Acid;4-chloro-2-{[(4-methylphenyl)sulfonyl]amino}benzoic acid;4-Chloro-2-[[(4-methylphenyl)sulfonyl]amino]benzoic acid;C14H12ClNO4S;C14-H12-Cl-N-O4-S;MFCD06218293;AKOS008009783;SB83011;CS-0230596;EN300-10463;4-Chloro-2-(4-methylphenylsulfonamido)benzoicacid;Z45524948;Benzoic acid, 4-chloro-2-[[(4-methylphenyl)sulfonyl]amino]-

Chemical Property of 4-Chloro-2-(4-methylbenzenesulfonamido)benzoic acid

Chemical Property:

• Vapor Pressure: 6.27E-11mmHg at 25°C
• Boiling Point: 502.8°Cat760mmHg
• Flash Point: 257.9°C
• PSA: 91.85000
• Density: g/cm³
• LogP: 4.30120
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 325.0175567
• Heavy Atom Count: 21
• Complexity: 468

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-2-(4-methylphenylsulfonamido)benzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

Technology Process of 4-Chloro-2-(4-methylbenzenesulfonamido)benzoic acid

There total 4 articles about 4-Chloro-2-(4-methylbenzenesulfonamido)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:

p-toluenesulfonyl chloride (98-59-9) + 2-Amino-4-chlorobenzoic acid (89-77-0) → 4-chloro-2-(4-methylphenylsulfonylamino)benzoic acid (31100-24-0)

Guidance literature:

p-toluenesulfonyl chloride; 2-Amino-4-chlorobenzoic acid; With sodium carbonate; In water; at 70 - 85 ℃; for 0.75h;

With hydrogenchloride; In water; at 20 ℃; pH=1;

DOI:10.1055/s-0035-1561671

Reference yield:

4-chloro-N-(2-(4,5-dihydrooxazol-2-yl)phenyl)-2-(4-methylphenylsulfonamido)benzamide (1570135-13-5) → 2-(4,5-Dihydro-1,3-oxazol-2-yl)aniline (3416-93-1) + 4-chloro-2-(4-methylphenylsulfonylamino)benzoic acid (31100-24-0)

Guidance literature:

With potassium hydroxide; In ethanol; at 80 ℃; for 16h; Inert atmosphere;

DOI:10.1021/ja412880r

Reference yield:

2-Amino-4-chlorobenzoic acid (89-77-0) → 4-chloro-2-(4-methylphenylsulfonylamino)benzoic acid (31100-24-0)

Guidance literature:

With sodium acetate;

upstream raw materials:

2-Amino-4-chlorobenzoic acid

4-chloro-N-(2-(4,5-dihydrooxazol-2-yl)phenyl)-2-(4-methylphenylsulfonamido)benzamide

p-toluenesulfonyl chloride

Downstream raw materials:

4-chloro-2-(toluene-4-sulfonylamino)-benzoyl chloride

2-amino-4-chlorobenzophenone

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