2',6'-Diethyl-p-toluenesulfonanilide

Base Information

• Chemical Name: 2',6'-Diethyl-p-toluenesulfonanilide
• CAS No.: 4703-16-6
• Molecular Formula: C17H21NO2S
• Molecular Weight: 303.425
• Hs Code.: 2935009090
• European Community (EC) Number: 665-918-1
• DSSTox Substance ID: DTXSID40963726
• Wikidata: Q82945632
• Mol file: 4703-16-6.mol

Synonyms:2',6'-Diethyl-p-toluenesulfonanilide;n-(2,6-diethylphenyl)-4-methylbenzenesulfonamide;4703-16-6;p-Toluenesulfonanilide, 2',6'-diethyl-;Cambridge id 7198048;Oprea1_775231;N-(2,6-diethylphenyl)-4-methylbenzene-1-sulfonamide;SCHEMBL9616536;DTXSID40963726;MFCD00026955;AKOS002248591;N-(2,6-diethylphenyl)-p-toluenesulfonamide

Chemical Property of 2',6'-Diethyl-p-toluenesulfonanilide

Chemical Property:

• Vapor Pressure: 1.06E-07mmHg at 25°C
• Boiling Point: 433°Cat760mmHg
• Flash Point: 215.6°C
• PSA: 54.55000
• Density: 1.164g/cm³
• LogP: 5.07440
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 303.12930009
• Heavy Atom Count: 21
• Complexity: 395

Purity/Quality:

98.5% ^*data from raw suppliers

2',6'-DIETHYL-P-TOLUENESULFONANILIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=C(C(=CC=C1)CC)NS(=O)(=O)C2=CC=C(C=C2)C

Technology Process of 2',6'-Diethyl-p-toluenesulfonanilide

There total 2 articles about 2',6'-Diethyl-p-toluenesulfonanilide 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:

2,6-diethylaniline (579-66-8) + p-toluenesulfonyl chloride (98-59-9) → toluene-4-sulfonic acid-(2,6-diethyl-anilide) (4703-16-6)

Guidance literature:

With pyridine;

DOI:10.1139/v58-188

Reference yield:

→ toluene-4-sulfonic acid-(2,6-diethyl-anilide) (4703-16-6)

Guidance literature:

Aus d. entspr. Anilin, Chlorid;

Reference yield: 70.0%

toluene-4-sulfonic acid-(2,6-diethyl-anilide) (4703-16-6) → C17H20ClNO2S

Guidance literature:

With dipotassium peroxodisulfate; ammonium chloride; In water; acetonitrile; at 95 ℃; for 1h; regioselective reaction;

DOI:10.1002/adsc.201300062

upstream raw materials:

2,6-diethylaniline

p-toluenesulfonyl chloride

Downstream raw materials:

toluene-4-sulfonic acid-(2,6-diethyl-4-nitro-anilide)

2,6-diethylaniline

2,6-diethyl-4-nitrophenol

2,6-diethyl-4-nitroaniline

Refernces