4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

Base Information

• Chemical Name: 4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
• CAS No.: 339-42-4
• Molecular Formula: C13H11F3N2O2S
• Molecular Weight: 316.304
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID20381782
• Wikidata: Q82172837
• ChEMBL ID: CHEMBL227490
• Mol file: 339-42-4.mol

Synonyms:339-42-4;4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;4-Amino-N-[4-(trifluoromethyl)phenyl]benzenesulphonamide;C13H11F3N2O2S;4-Amino-N-[4-(trifluoromethyl)-phenyl]benzenesulfonamide;CHEMBL227490;SCHEMBL4573249;DTXSID20381782;MFCD01935804;AKOS009151192;PS-7063;SB82669;CS-0207069;4-amino-N-[4-(trifluoromethyl)phenyl]benzene-1-sulfonamide;4-AMINO-N-[4-(TRIFLUOROMETHYL)PHENYL!BENZENESULFONAMIDE, TECH;4-[(4-Aminophenyl)sulphonamido]benzotrifluoride, 4-{N-[4-(Trifluoromethyl)phenyl]sulphamoyl}aniline

Chemical Property of 4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

Chemical Property:

• Melting Point: 178.55-179 °C
• Boiling Point: 440.2±55.0 °C(Predicted)
• PKA: 8.16±0.10(Predicted)
• PSA: 80.57000
• Density: 1.475±0.06 g/cm3(Predicted)
• LogP: 4.82340
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 316.04933326
• Heavy Atom Count: 21
• Complexity: 431

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Amino-n-[4-(trifluoromethyl)phenyl]benzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)N

Technology Process of 4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

There total 10 articles about 4-amino-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide 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: 80.0%

N-((4-trifluoromethyl)phenyl)-4-nitrobenzene sulphonamide (312-51-6) → N-((4-trifluoromethyl)phenyl)-4-aminobenzene sulphonamide (339-42-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; under 750.06 Torr;

DOI:10.1016/j.bmc.2006.10.029

Reference yield: 63.0%

N-(4-(N-(4-(trifluoromethyl)phenyl)sulfamoyl)phenyl)acetamide (433-00-1) → N-((4-trifluoromethyl)phenyl)-4-aminobenzene sulphonamide (339-42-4)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 6h;

DOI:10.1016/j.ejmech.2020.112941

Reference yield:

4-trifluoromethylphenylamine (455-14-1) → N-((4-trifluoromethyl)phenyl)-4-aminobenzene sulphonamide (339-42-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / pyridine / 20 °C

2: 80 percent / H₂ / Pd/C / ethanol / 750.06 Torr

With pyridine; hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1016/j.bmc.2006.10.029

upstream raw materials:

4-trifluoromethylphenylamine

p-acetylaminobenzenesulfonyl chloride

N-(4-(N-(4-(trifluoromethyl)phenyl)sulfamoyl)phenyl)acetamide

N-((4-trifluoromethyl)phenyl)-4-nitrobenzene sulphonamide

Downstream raw materials:

(E)-4-( (4-hydroxy-3,5-dimethylphenyl)diazenyl)-N-(4-(trifluoromethyl)phenyl)benzenesulfonamide

4-isothiocyanato-N-(4-trifluoromethyl-phenyl)benzenesulfonamide

Refernces

• 1、 ?imková, Ludmila,Císa?ová, Ivana,Cu?ínová, Petra,Ludvík, Ji?í,Sykora, Jan,Salvadori, Karolína. "Sulphonamidic Groups as Electron-Withdrawing Units in Ureido-Based Anion Receptors: Enhanced Anion Complexation versus Deprotonation". . p. 1401 - 1411. Retrieved 2020/08/05.
• 2、 -. "PROTIEN KINASE INHIBITORS". Page/Page column 37; 71. . Retrieved 2008/12/05.