N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
• CAS No.: 4703-15-5
• Molecular Formula: C15H17 N O2 S
• Molecular Weight: 275.371
• Hs Code.: 2935009090
• European Community (EC) Number: 688-648-6
• NSC Number: 97146
• DSSTox Substance ID: DTXSID90294572
• Nikkaji Number: J3.373.915J
• Wikidata: Q82033943
• Mol file: 4703-15-5.mol

Synonyms:N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide;4703-15-5;BENZENESULFONAMIDE,N-(2,6-DIMETHYLPHENYL)-4-METHYL-;N-(2,6-DIMETHYL-PHENYL)-4-METHYL-BENZENESULFONAMIDE;benzenesulfonamide, n-(2,6-dimethylphenyl)-4-methyl-;NSC97146;NCIOpen2_006146;N-(2,6-dimethylphenyl)-4-methylbenzene-1-sulfonamide;SCHEMBL10884844;DTXSID90294572;MFCD00185176;NSC-97146;STK031550;AKOS001299974;DS-9781;CS-0153026;1-(p-Toluenesulfonamido)-2,6-dimethylbenzene;AN-652/13521023;Z45712866

Chemical Property of N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 9.14E-07mmHg at 25°C
• Boiling Point: 404.9°Cat760mmHg
• Flash Point: 198.7°C
• PSA: 54.55000
• Density: 1.211g/cm³
• LogP: 4.56640
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 275.09799996
• Heavy Atom Count: 19
• Complexity: 369

Purity/Quality:

99% ^*data from raw suppliers

N-(2,6-DIMETHYLPHENYL)-4-METHYLBENZENESULFONAMIDE 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC=C2C)C

Technology Process of N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide

There total 9 articles about N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide 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: 96.0%

p-toluenesulfonyl chloride (98-59-9) + 2,6-dimethylaniline (87-62-7) → N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide (4703-15-5)

Guidance literature:

With pyridine; at 0 - 25 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.8b02091

Reference yield: 88.0%

2,6-dimethylbenzene boronic acid (100379-00-8) + toluene-4-sulfonamide (70-55-3) → N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide (4703-15-5)

Guidance literature:

With potassium carbonate; In water; for 7h; Reflux;

DOI:10.1039/c3ra47955b

Reference yield:

[N-(p-tolylsulfonyl)imino]phenyliodinane (55962-05-5) + m-xylene (108-38-3,104809-90-7) → N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide (4703-15-5) + 4-methyl-N-(2,4-dimethylphenyl)-benzenesulfonamide (7230-44-6)

Guidance literature:

With [(tris(3,5-dimethylpyrazol-1-yl)methane)Fe(NCMe)₃](BF₄)₂; In dichloromethane; at 19.84 ℃; Overall yield = 74 %; regioselective reaction;

DOI:10.1021/om3009102

upstream raw materials:

p-toluenesulfonyl chloride

2,6-dimethylaniline

2,6-dimethylphenylazide

p-toluenesulfonylanhydride

Downstream raw materials:

N,2,6-trimethyl-4-nitroaniline

Refernces

• 1、 -. "PLASMA KALLIKREIN INHIBITORS AND USES THEREOF". Paragraph 0731; 0732. . Retrieved 2021/03/19.
• 2、 Chippindale, Ann M.,Gavriel, Alexander G.,Hayes, Wayne,Khurana, Gurjeet S.,Leroux, Flavien,Lewis, Viliyana G.,Russell, Andrew T.,Sambrook, Mark R.. "Self-Immolative System for Disclosure of Reactive Electrophilic Alkylating Agents: Understanding the Role of the Reporter Group". . p. 10263 - 10279. Retrieved 2021/08/16.