4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide

Base Information

• Chemical Name: 4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
• CAS No.: 4703-17-7
• Molecular Formula: C16H19NO2S
• Molecular Weight: 289.398
• DSSTox Substance ID: DTXSID301217237
• Nikkaji Number: J3.415.143A
• ChEMBL ID: CHEMBL3311314
• Mol file: 4703-17-7.mol

Synonyms:N-Mesityl-p-toluenesulfonamide;4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide;CHEMBL3311314;SCHEMBL5848352;DTXSID301217237;N-mesityl-4-methylbenzenesulfonamide;BDBM50044857;STL257144;AKOS002346282;N-(p-toluenesulfonyl)-2,4,6-trimethylaniline;AH-357/04334005;4703-17-7

Chemical Property of 4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide

Chemical Property:

• Melting Point: 136 - 138 °C
• PSA: 54.55000
• LogP: 4.87480
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 289.11365002
• Heavy Atom Count: 20
• Complexity: 395

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide

There total 16 articles about 4-methyl-N-(2,4,6-trimethylphenyl)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: 95.0%

p-toluenesulfonyl chloride (98-59-9) + 2,4,6-trimethylaniline (88-05-1) → N-mesityl-4-methylbenzenesulfonamide (4703-17-7)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 16h;

DOI:10.3109/14756366.2011.617745

Reference yield: 81.0%

[N-(p-tolylsulfonyl)imino]phenyliodinane (55962-05-5) + 1,3,5-trimethyl-benzene (108-67-8) → N-mesityl-4-methylbenzenesulfonamide (4703-17-7)

Guidance literature:

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

DOI:10.1021/om3009102

Reference yield: 68.0%

2,4,6-trimethylaniline (88-05-1) + 2-methyl-5-nitropyrimidine-4,6-bis(p-toluenesulfonate) (197803-54-6) → N-mesityl-4-methylbenzenesulfonamide (4703-17-7) + toluene-4-sulfonic acid 2-methyl-5-nitro-6-(2,4,6-trimethyl-phenylamino)-pyrimidin-4-yl ester (343581-90-8) + 2-methyl-5-nitro-N,N'-bis-(2,4,6-trimethylphenyl)-pyrimidine-4,6-diamine

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.3987/com-00-9126

upstream raw materials:

ethanol

toluene-4-sulfonic acid-(2,4,6-trimethyl-N-nitroso-anilide)

p-toluenesulfonyl chloride

2,4,6-trimethylaniline

Downstream raw materials:

toluene-4-sulfonic acid-(2,4,6-trimethyl-N-nitroso-anilide)

C₂₄H₂₄N₂O₂S

N-mesityl-4-methyl-N-(propa-1,2-dien-1-yl)benzenesulfonamide