4-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide

Base Information

• Chemical Name: 4-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
• CAS No.: 118841-85-3
• Molecular Formula: C13H8F5NO2S
• Molecular Weight: 337.27
• DSSTox Substance ID: DTXSID30389239
• Mol file: 118841-85-3.mol

Synonyms:4-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide;118841-85-3;4-Methyl-N-(2,3,4,5,6-pentafluoro-phenyl)-benzenesulfonamide;DTXSID30389239;AKOS000520442

Chemical Property of 4-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 337.01959048
• Heavy Atom Count: 22
• Complexity: 461

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=C(C(=C2F)F)F)F)F

Technology Process of 4-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide

There total 1 articles about 4-methyl-N-(2,3,4,5,6-pentafluorophenyl)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:

2,3,4,5,6-pentafluoroaniline (771-60-8) + p-toluenesulfonyl chloride (98-59-9) → 4-methyl-N-(pentafluorophenyl)benzene sulfonamide (118841-85-3)

Guidance literature:

p-toluenesulfonyl chloride; With pyridine; dmap; at 20 ℃; for 0.25h;

2,3,4,5,6-pentafluoroaniline; Heating;

DOI:10.1021/ja201708f

Reference yield: 96.0%

carbon monoxide (201230-82-2) + 4-methyl-N-(pentafluorophenyl)benzene sulfonamide (118841-85-3) → C14H6F5NO3S (1298109-49-5)

Guidance literature:

With potassium dihydrogenphosphate; silver(I) acetate; palladium diacetate; In hexane; at 130 ℃; for 24h; under 760.051 Torr;

DOI:10.1021/ja201708f

Reference yield: 68.0%

4-methyl-N-(pentafluorophenyl)benzene sulfonamide (118841-85-3) + ethyl acrylate (140-88-5,9003-32-1) → ethyl 2-(5-methyl-1,1-dioxido-2-(perfluorophenyl)-2,3-dihydrobenzo[d]isothiazol-3-yl)acetate

Guidance literature:

With [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; copper(II) acetate monohydrate; In water; N,N-dimethyl-formamide; at 120 - 150 ℃; for 23h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/chem.201404604

upstream raw materials:

2,3,4,5,6-pentafluoroaniline

p-toluenesulfonyl chloride

Downstream raw materials:

C₁₃H₇F₅INO₂S

2,4-dimethylbenzenesulfonic acid

C₁₄H₁₀F₅NO₂S

C₁₅H₁₂F₅NO₂S