2-Chloro-4-(methylsulfonamido)benzoic Acid

Base Information

• Chemical Name: 2-Chloro-4-(methylsulfonamido)benzoic Acid
• CAS No.: 158579-73-8
• Molecular Formula: C₈H₈ClNO₄S
• Molecular Weight: 249.675
• Hs Code.: 2935009090
• European Community (EC) Number: 857-076-0
• Nikkaji Number: J2.767.420H
• Mol file: 158579-73-8.mol

Synonyms:158579-73-8;2-Chloro-4-(methylsulfonamido)benzoic Acid;2-chloro-4-methanesulfonamidobenzoic acid;2-chloro-4-[(methylsulfonyl)amino]Benzoic acid;2-chloro-4-(methanesulfonamido)benzoic acid;MFCD14659025;benzoic acid, 2-chloro-4-[(methylsulfonyl)amino]-;SCHEMBL1016072;JJPZWTSCHWHTEH-UHFFFAOYSA-N;AC7647;AKOS010658310;SB80895;LS-10491;SY015000;2-Chloro-4-(methylsulfonamido)benzoicAcid;DB-064228;CS-0309385;2-chloro4-(N-methylsulphonylamino)benzoic acid;EN300-180640;2-chloro-4-(N-methylsulphonylamino)benzoic acid;Z816004476

Chemical Property of 2-Chloro-4-(methylsulfonamido)benzoic Acid

Chemical Property:

• Boiling Point: 419.9±55.0 °C(Predicted)
• PKA: 2.94±0.25(Predicted)
• PSA: 91.85000
• Density: 1.617±0.06 g/cm3(Predicted)
• LogP: 2.56350
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 248.9862566
• Heavy Atom Count: 15
• Complexity: 337

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-4-(methylsulfonamido)benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)NC1=CC(=C(C=C1)C(=O)O)Cl

Technology Process of 2-Chloro-4-(methylsulfonamido)benzoic Acid

There total 4 articles about 2-Chloro-4-(methylsulfonamido)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: 94.0%

methyl 2-chloro-4(N-methylsulphonylamino)benzoate (158580-55-3) → 2-chloro-4-(N-methylsulphonylamino)benzoic acid (158579-73-8)

Guidance literature:

methyl 2-chloro-4(N-methylsulphonylamino)benzoate; With water; lithium hydroxide; In tetrahydrofuran; at 20 - 45 ℃; for 4h;

With acetic acid; In water; at 0 ℃;

Reference yield:

4-amino-2-chlorobenzoic acid (2457-76-3) + methanesulfonyl chloride (124-63-0) → 2-chloro-4-(N-methylsulphonylamino)benzoic acid (158579-73-8) + 2-chloro-4-[N,N-bis(methylsulphonyl)amino]benzoic acid

Guidance literature:

With triethylamine; In sodium hydroxide; acetonitrile;

Reference yield:

methyl 4-amino-2-chlorobenzoate (46004-37-9) → 2-chloro-4-(N-methylsulphonylamino)benzoic acid (158579-73-8)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / dichloromethane / 18 h / 0 - 20 °C

2: water; lithium hydroxide / tetrahydrofuran / 5 h / 50 °C

With pyridine; water; lithium hydroxide; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2010.08.134

upstream raw materials:

4-amino-2-chlorobenzoic acid

methanesulfonyl chloride

methyl 2-chloro-4(N-methylsulphonylamino)benzoate

methyl 4-amino-2-chlorobenzoate

Downstream raw materials:

C₃₆H₄₁ClFN₅O₃S

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 158579-73-8 2-chloro-4-MethanesulfonaMidobenzoic acid

Send

Send

Metric Ton KG G Pound L ML

Send

Send