1-Methyl-5-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazole

Base Information

Chemical Name:1-Methyl-5-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazole
CAS No.:129521-39-7
Molecular Formula:C10H11 N3 O2 S
Molecular Weight:237.282
Hs Code.:
DSSTox Substance ID:DTXSID80156190
Nikkaji Number:J577.078E
ChEMBL ID:CHEMBL282928

Synonyms:129521-39-7;1-Methyl-5-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazole;BRN 4188698;1H-1,2,4-Triazole, 1-methyl-5-(methylsulfonyl)-3-phenyl-;CHEMBL282928;DTXSID80156190;LS-156072;1-Methyl-3-phenyl-5-(methylsulfonyl)-1H-1,2,4-triazole

Suppliers and Price of 1-Methyl-5-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 1-Methyl-5-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazole

Chemical Property:

Vapor Pressure:2.59E-08mmHg at 25°C
Boiling Point:450.7°C at 760 mmHg
Flash Point:226.4°C
Density:1.35g/cm³
XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:237.05719778
Heavy Atom Count:16
Complexity:333

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=NC(=N1)C2=CC=CC=C2)S(=O)(=O)C

Technology Process of 1-Methyl-5-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazole

There total 2 articles about 1-Methyl-5-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazole 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: 73.0%

: 50369-47-6
1-methyl-5-(methylthio)-3-phenyl-1H-1,2,4-triazole

: 129521-39-7
1-methyl-5-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazole

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 25 ℃;
DOI:10.1021/jm00172a015

Reference yield:

: 39696-48-5
2-methyl-5-phenyl-2,4-dihydro-[1,2,4]triazole-3-thione

: 129521-39-7
1-methyl-5-(methylsulfonyl)-3-phenyl-1H-1,2,4-triazole

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent / aq. NaOH / ethanol / Ambient temperature

2: 73 percent / MCPBA / CH₂Cl₂ / 17 h

With sodium hydroxide; 3-chloro-benzenecarboperoxoic acid; In ethanol; dichloromethane;