4-[(2-fluorophenyl)sulfonylamino]benzoic Acid

Base Information

• Chemical Name: 4-[(2-fluorophenyl)sulfonylamino]benzoic Acid
• CAS No.: 612041-67-5
• Molecular Formula: C₁₃H₁₀FNO₄S
• Molecular Weight: 295.291
• DSSTox Substance ID: DTXSID101240676
• Mol file: 612041-67-5.mol

Synonyms:612041-67-5;4-((2-fluorophenyl)sulfonamido)benzoic acid;4-[(2-fluorophenyl)sulfonylamino]benzoic Acid;4-{[(2-fluorophenyl)sulfonyl]amino}benzoic acid;4-([(2-FLUOROPHENYL)SULFONYL]AMINO)BENZOIC ACID;4-(2-fluorobenzenesulfonamido)benzoic acid;4-[[(2-Fluorophenyl)sulfonyl]amino]benzoic acid;SCHEMBL5330069;DTXSID101240676;STL307405;AKOS000126612;EN300-235709;Z45512309;4-([(2-FLUOROPHENYL)SULFONYL]AMINO)BENZOICACID;F1408-0380

Chemical Property of 4-[(2-fluorophenyl)sulfonylamino]benzoic Acid

Chemical Property:

• Boiling Point: 488.4±55.0 °C(Predicted)
• PKA: 4.01±0.10(Predicted)
• Density: 1.512±0.06 g/cm3(Predicted)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 295.03145714
• Heavy Atom Count: 20
• Complexity: 440

Purity/Quality:

99% ^*data from raw suppliers

4-((2-Fluorophenyl)sulfonamido)benzoic acid 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)F)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O
• Uses: 4-((2-Fluorophenyl)sulfonamido)benzoic Acid is a useful reagent in the preparation of (phenylsulfonamido)benzoic acids derivatives that exhibits antifungal and antibacterial activities.

Technology Process of 4-[(2-fluorophenyl)sulfonylamino]benzoic Acid

There total 2 articles about 4-[(2-fluorophenyl)sulfonylamino]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: 93.0%

2-fluorobenzenesulfonyl chloride (2905-21-7) + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-(2-fluoro-benzenesulfonylamino)benzoic acid (612041-67-5)

Guidance literature:

With fly-ash:H₃PO₄; In tetrahydrofuran; at 20 ℃; Solvent; Catalytic behavior; Sonication;

DOI:10.4067/s0717-97072019000104386

Reference yield:

C14H12FNO4S (557097-18-4) → 4-(2-fluoro-benzenesulfonylamino)benzoic acid (612041-67-5)

Guidance literature:

C₁₄H₁₂FNO₄S; With methanol; lithium hydroxide; In tetrahydrofuran; at 110 ℃; for 0.5h; Microwave irradiation;

With hydrogenchloride; In tetrahydrofuran; methanol; water;

DOI:10.1016/j.bmc.2008.12.020

upstream raw materials:

C₁₄H₁₂FNO₄S

2-fluorobenzenesulfonyl chloride

4-amino-benzoic acid