5-Amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide

Base Information

• Chemical Name: 5-Amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide
• CAS No.: 113171-13-4
• Molecular Formula: C₉H₉Cl₂N₅O₂S
• Molecular Weight: 322.175
• European Community (EC) Number: 428-150-6
• DSSTox Substance ID: DTXSID201021546
• Nikkaji Number: J669.287G
• Mol file: 113171-13-4.mol

Synonyms:ATSA (M1);SCHEMBL5224120;SCHEMBL9864626;JSWPGCUMLYJXKD-UHFFFAOYSA-N;DTXSID201021546;5-AMINO-N-(2,6-DICHLORO-3-METHYLPHENYL)-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE;113171-13-4;NS00002882;5-amino-N-(2,6-dichloro-3-methylphenyl)-1,2,4-triazole-3-sulfonamide;N-(2,6-dichloro-3-methylphenyl)-5-amino-1,2,4-triazole-3-sulfonamide;N-(3-(((2,6-dichloro-3-methylphenyl)amino)sulfonyl)-1H-1,2,4-triazol-5-yl)amine

Chemical Property of 5-Amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide

Chemical Property:

• Melting Point: 206-208 °C
• Boiling Point: 563.3±60.0 °C(Predicted)
• Density: 1.734±0.06 g/cm3(Predicted)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 320.9854011
• Heavy Atom Count: 19
• Complexity: 417

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)Cl)NS(=O)(=O)C2=NC(=NN2)N)Cl

Technology Process of 5-Amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide

There total 8 articles about 5-Amino-N-(2,6-dichloro-3-methylphenyl)-1H-1,2,4-triazole-3-sulfonamide 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: 98.1%

5-Amino-3-chlorosulfonyl-1,2,4-triazole (129879-84-1) + 2,6-dichloro-3-methylaniline (64063-37-2) → N-(3-(((2,6-dichloro-3-methylphenyl)amino)sulfonyl)-1H-1,2,4-triazol-5-yl)amine (113171-13-4)

Guidance literature:

Reference yield: 98.0%

N-(4-bromo-2,6-dichloro-3-methylphenyl)-5-N-(formyl)-1,2,4-triazole-3-sulfonamide (129879-89-6) → N-(3-(((2,6-dichloro-3-methylphenyl)amino)sulfonyl)-1H-1,2,4-triazol-5-yl)amine (113171-13-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 3h; Heating;

Reference yield:

N-(3-(((4-bromo-2,6-dichloro-3-methylphenyl)amino)sulfonyl)-1H-1,2,4-triazol-5-yl)formamide → N-(3-(((2,6-dichloro-3-methylphenyl)amino)sulfonyl)-1H-1,2,4-triazol-5-yl)amine (113171-13-4)

Guidance literature:

With nitrogen; hydrogen; palladium-carbon; In ethanol;

upstream raw materials:

N-(4-bromo-2,6-dichloro-3-methylphenyl)-5-N-(formyl)-1,2,4-triazole-3-sulfonamide

amino-5-bromo-2-toluene

N-(4-bromo-3-methylphenyl)-5-N-(formyl)-1,2,4-triazole-3-sulfonamide

5-Amino-3-chlorosulfonyl-1,2,4-triazole

Downstream raw materials:

N-(2,6-dichloro-3-methylphenyl)-5,7-dihydroxy-1,2,4-triazolo<1,5-a>pyrimidine-2-sulfonamide

N-(2,6-dichloro-3-methylphenyl)-5,7-dichloro-1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamide