2-(Benzylamino)-5-(trifluoromethyl)benzenesulfonamide

Base Information

• Chemical Name: 2-(Benzylamino)-5-(trifluoromethyl)benzenesulfonamide
• CAS No.: 1698-38-0
• Molecular Formula: C14H13 F3 N2 O2 S
• Molecular Weight: 330.331
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID00459973
• Mol file: 1698-38-0.mol

Synonyms:1698-38-0;2-(benzylamino)-5-(trifluoromethyl)benzenesulfonamide;2-BENZYLAMINO-5-TRIFLUOROMETHYL-BENZENESULFONAMIDE;2-Benzylamino-5-trifluoromethyl-;SCHEMBL6553455;DTXSID00459973;AKOS015964046;SB83539;AC-18628;2-benzylamino-5-trifluoromethylbenzenesulfonamide;2-(Benzylamino)-5-(trifluoromethyl)benzene-1-sulfonamide

Chemical Property of 2-(Benzylamino)-5-(trifluoromethyl)benzenesulfonamide

Chemical Property:

• Vapor Pressure: 6.76E-09mmHg at 25°C
• Refractive Index: 1.579
• Boiling Point: 467°C at 760 mmHg
• Flash Point: 236.2°C
• PSA: 80.57000
• Density: 1.423g/cm³
• LogP: 4.81900
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 330.06498332
• Heavy Atom Count: 22
• Complexity: 456

Purity/Quality:

98.5% ^*data from raw suppliers

2-(Benzylamino)-5-(trifluoromethyl)benzenesulfonamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)N

Technology Process of 2-(Benzylamino)-5-(trifluoromethyl)benzenesulfonamide

There total 3 articles about 2-(Benzylamino)-5-(trifluoromethyl)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%

2-chloro-5-(trifluoromethyl)benzenesulfonamide (779-71-5) + benzylamine (100-46-9) → 2-benzylamino-5-trifluoromethylbenzenesulfonamide (1698-38-0)

Guidance literature:

at 100 ℃;

DOI:10.1021/jm0311339

Reference yield:

2-chloro-5-trifluoromethyl-benzenesulfonyl chloride (54090-08-3) → 2-benzylamino-5-trifluoromethylbenzenesulfonamide (1698-38-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / aq. ammonia / 1 h / 20 °C

2: 80 percent / 100 °C

With ammonium hydroxide;

DOI:10.1021/jm0311339

Reference yield:

→ 2-benzylamino-5-trifluoromethylbenzenesulfonamide (1698-38-0)

Guidance literature:

PhCH2NH2, Chlorverb.;

upstream raw materials:

2-chloro-5-(trifluoromethyl)benzenesulfonamide

benzylamine

2-chloro-5-trifluoromethyl-benzenesulfonyl chloride

Downstream raw materials:

2-amino-5-(trifluoromethyl)benzenesulfonamide