N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzenesulfonamide
• CAS No.: 384352-13-0
• Molecular Formula: C15H15N5O2S
• Molecular Weight: 329.382
• DSSTox Substance ID: DTXSID701322408
• ChEMBL ID: CHEMBL1326658
• Mol file: 384352-13-0.mol

Synonyms:MLS000716951;CHEMBL1326658;DTXSID701322408;HMS2629P20;CCG-21356;N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzenesulfonamide;STK042213;AKOS000641980;384352-13-0;SMR000278468;SR-01000501910;SR-01000501910-1;5-amino-1-phenyl-3-p-toluenesulfonylamino-1,2,4-triazole;N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-methylbenzenesulfonamide

Chemical Property of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzenesulfonamide

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 329.09464591
• Heavy Atom Count: 23
• Complexity: 481

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C(=N2)N)C3=CC=CC=C3

Technology Process of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzenesulfonamide

There total 2 articles about N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-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%

5-p-methylbenzoylamino-1-phenyl-3-p-toluenesulfonylamino-1,2,4-triazole (908301-70-2) → 5-amino-1-phenyl-3-p-toluenesulfonylamino-1,2,4-triazole (384352-13-0)

Guidance literature:

With hydrogenchloride; In ethanol; for 2h; Heating;

DOI:10.1007/s10593-005-0293-2

Reference yield: 73.0%

3,5-diamino-1-phenyl-1,2,4-triazole (14575-59-8) + p-toluenesulfonyl chloride (98-59-9) → 5-amino-1-phenyl-3-p-toluenesulfonylamino-1,2,4-triazole (384352-13-0)

Guidance literature:

With pyridine; In acetonitrile; for 0.166667h; Heating;

DOI:10.1007/s10593-005-0293-2

Reference yield: 81.0%

5-amino-1-phenyl-3-p-toluenesulfonylamino-1,2,4-triazole (384352-13-0) + benzyl chloride (100-44-7) → 5-amino-3-(N-benzyl-N-p-toluenesulfonyl)amino-1-phenyl-1,2,4-triazole

Guidance literature:

5-amino-1-phenyl-3-p-toluenesulfonylamino-1,2,4-triazole; With sodium methylate; In methanol; dimethyl sulfoxide; at 20 ℃; for 0.0833333h;

benzyl chloride; In methanol; dimethyl sulfoxide; at 0 - 10 ℃; regioselective reaction;

DOI:10.1007/s10593-009-0290-y

upstream raw materials:

5-p-methylbenzoylamino-1-phenyl-3-p-toluenesulfonylamino-1,2,4-triazole

3,5-diamino-1-phenyl-1,2,4-triazole

p-toluenesulfonyl chloride

Downstream raw materials:

5-amino-3-(N-p-methylbenzoyl-N-p-toluenesulfonyl)amino-1-phenyl-1,2,4-triazole

5-p-methylbenzoylamino-1-phenyl-3-p-toluenesulfonylamino-1,2,4-triazole

5-amino-3-(N-methyl-N-tosyl)amino-1-phenyl-1,2,4-triazole