4-methyl-N-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide

Base Information

• Chemical Name: 4-methyl-N-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
• CAS No.: 51099-99-1
• Molecular Formula: C26H24N2O4S2
• Molecular Weight: 492.62
• NSC Number: 176091
• DSSTox Substance ID: DTXSID30306406
• Wikidata: Q82053504
• Mol file: 51099-99-1.mol

Synonyms:51099-99-1;4-methyl-N-[4'-(4-methylbenzenesulfonamido)-[1,1'-biphenyl]-4-yl]benzene-1-sulfonamide;NSC176091;4-methyl-N-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide;Oprea1_548682;Oprea1_862722;DTXSID30306406;AKOS000601466;NSC-176091;VU0488747-1;F0808-0321;N,N'-([1,1'-biphenyl]-4,4'-diyl)bis(4-methylbenzenesulfonamide);N,N'-([1,1'-Biphenyl]-4,4'-diyl)bis(4-methylbenzene-1-sulfonamide)

Chemical Property of 4-methyl-N-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide

Chemical Property:

• Boiling Point: 669.5°Cat760mmHg
• Flash Point: 358.7°C
• Density: 1.347g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 492.11774960
• Heavy Atom Count: 34
• Complexity: 760

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C

Technology Process of 4-methyl-N-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide

There total 4 articles about 4-methyl-N-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]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: 98.0%

Ethyl 4-bromobutyrate (2969-81-5) + N-(4-bromophenyl)-4-methylbenzenesulfonamide (32857-48-0) → diethyl suberate (2050-23-9) + phenyl toluenesulfonamide (68-34-8) + 4-[4-(toluene-4-sulfonylamino)-phenyl]-butyric acid ethyl ester (1138239-43-6) + 4.4'-(bis-p-toluenesulphonamido)benzidine (51099-99-1) + butanoic acid ethyl ester (105-54-4)

Guidance literature:

With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 4,4'-Dimethoxy-2,2'-bipyridin; NiI₂*3.5H₂O; sodium iodide; zinc; at 20 - 60 ℃; for 16h; chemoselective reaction;

DOI:10.1021/ja301769r

Reference yield:

N-(4'-amino-biphenyl-4-yl)-toluene-4-sulfonamide; hydrochloride → 4.4'-(bis-p-toluenesulphonamido)benzidine (51099-99-1) + p,p'-diaminobiphenyl (92-87-5)

Guidance literature:

at 250 ℃;

Reference yield:

p-toluenesulfonyl chloride (98-59-9) + p,p'-diaminobiphenyl (92-87-5) → 4.4'-(bis-p-toluenesulphonamido)benzidine (51099-99-1)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

p-toluenesulfonyl chloride

p,p'-diaminobiphenyl

Ethyl 4-bromobutyrate

N-(4-bromophenyl)-4-methylbenzenesulfonamide

Downstream raw materials:

N,N'-(3,3'-dinitro-biphenyl-4,4'-diyl)-bis-toluene-4-sulfonamide

3,3'-dinitrobenzidine

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