2-Trifluoromethanesulfonylaniline

Base Information

• Chemical Name: 2-Trifluoromethanesulfonylaniline
• CAS No.: 17095-18-0
• Molecular Formula: C7H6F3NO2S
• Molecular Weight: 225.18800
• Hs Code.: 2921490090
• European Community (EC) Number: 817-993-9
• Mol file: 17095-18-0.mol

Synonyms:2-trifluoromethanesulfonylaniline;17095-18-0;2-(trifluoromethylsulfonyl)aniline;SCHEMBL999350;2-[(trifluoromethyl)sulfonyl]aniline;MFCD12174236;2-(Trifluoromethylsulfonyl)benzylamine;2-[(Trifluoromethyl)sulphonyl]aniline;AKOS008132070;Benzenamine, 2-[(trifluoromethyl)sulfonyl]-;CS-0252125;EN300-59057;G20879;Z425349436

Chemical Property of 2-Trifluoromethanesulfonylaniline

Chemical Property:

• Melting Point: 42-44 °C
• Boiling Point: 311.8±42.0 °C(Predicted)
• PSA: 68.54000
• Density: 1.502±0.06 g/cm3(Predicted)
• LogP: 3.22430
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 225.00713409
• Heavy Atom Count: 14
• Complexity: 293

Purity/Quality:

99% ^*data from raw suppliers

2-(TRIFLUOROMETHANE)SULFONYLANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N)S(=O)(=O)C(F)(F)F

Technology Process of 2-Trifluoromethanesulfonylaniline

There total 8 articles about 2-Trifluoromethanesulfonylaniline 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: 87.0%

trifluoromethylsulfinyl chloride (20621-29-8) + N-Phenylhydroxylamine (100-65-2) → 2-((trifluoromethyl)sulfonyl)aniline (17095-18-0)

Guidance literature:

With pyridine; In tetrahydrofuran; at -78 ℃; for 0.166667h; Reagent/catalyst; Temperature; Solvent; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.202115611

Reference yield:

N-(2-trifluoromethanesulfonyl-phenyl)-phthalimide (22351-78-6) → 2-((trifluoromethyl)sulfonyl)aniline (17095-18-0)

Guidance literature:

With sulfuric acid;

Reference yield:

1-nitro-2-(trifluoromethylsulfonyl)benzene (384-37-2) → 2-((trifluoromethyl)sulfonyl)aniline (17095-18-0)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

upstream raw materials:

N-(2-trifluoromethanesulfonyl-phenyl)-phthalimide

1-nitro-2-(trifluoromethylsulfonyl)benzene

Trifluormethyl-<4-carboxy-2-nitro-phenyl>-sulfoxid

4-(trifluoromethylthio)benzoic acid

Downstream raw materials:

4-Dimethylamino-2'-trifluormethansulfonyl-azobenzol

4-Dimethylamino-2'-trifluormethansulfonyl-azobenzol

1-nitro-2-(trifluoromethylsulfonyl)benzene

Refernces