3-Mesitylsulfonyl-1H-1,2,4-triazole

Base Information

Chemical Name:3-Mesitylsulfonyl-1H-1,2,4-triazole
CAS No.:149591-20-8
Molecular Formula:C11H13N3O2S
Molecular Weight:251.3
Hs Code.:
DSSTox Substance ID:DTXSID30591198
Nikkaji Number:J1.634.956I
Wikidata:Q82484914
Mol file:149591-20-8.mol

Synonyms:149591-20-8;3-Mesitylsulfonyl-1H-1,2,4-triazole;3-(2,4,6-TRIMETHYLPHENYLSULFONYL)-1,2,4-TRIAZOLE;3-(Mesitylsulfonyl)-1H-1,2,4-triazole;5-(2,4,6-trimethylphenyl)sulfonyl-1H-1,2,4-triazole;3-(2,4,6-Trimethylphenylsulfonyl)-1,2,4-triazole standard;1H-1,2,4-Triazole, 5-[(2,4,6-trimethylphenyl)sulfonyl]-;1H-1,2,4-Triazole, 3-[(2,4,6-trimethylphenyl)sulfonyl]- (9CI);5-[(2,4,6-Trimethylphenyl)sulfonyl]-1H-1,2,4-triazole;3-(2,4,6-Trimethylbenzenesulfonyl)-1,2,4-triazole;3-(2,4,6-Trimethylphenylsulfonyl)-1,2,4-triazole;SCHEMBL5371744;3-(2,4,6-Trimethylphenyl)sulfonyl-1H-1,2,4-triazole;DTXSID30591198;QAGFGTDJASNJAU-UHFFFAOYSA-N;A884254;5-(2,4,6-Trimethylbenzene-1-sulfonyl)-1H-1,2,4-triazole;3-(2,4,6-Trimethylphenylsulfonyl)-1,2,4-triazole 100 microg/mL in Acetonitrile

Suppliers and Price of 3-Mesitylsulfonyl-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

American Custom Chemicals Corporation
3-(2,4,6-TRIMETHYLPHENYLSULFONYL)-1,2,4-TRIAZOLE 95.00%
5MG
$ 498.30

Total 11 raw suppliers

Chemical Property of 3-Mesitylsulfonyl-1H-1,2,4-triazole

Chemical Property:

Boiling Point:469.3±55.0 °C(Predicted)
PKA:6.23±0.20(Predicted)
PSA：84.09000
Density:1.313±0.06 g/cm3(Predicted)
LogP:2.64350
Storage Temp.:Refrigerator, under inert atmosphere
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:251.07284784
Heavy Atom Count:17
Complexity:353

Purity/Quality:

97% ^*data from raw suppliers

3-(2,4,6-TRIMETHYLPHENYLSULFONYL)-1,2,4-TRIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=NC=NN2)C
Uses 3-(2,4,6-Trimethylphenylsulfonyl)-1,2,4-triazole is employed as a herbicide.

Technology Process of 3-Mesitylsulfonyl-1H-1,2,4-triazole

There total 2 articles about 3-Mesitylsulfonyl-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:

: 158091-64-6
3-(2,4,6-trimethylphenyl)thio-1H-1,2,4-triazole

: 149591-20-8
3-(2,4,6-trimethylphenyl)sulfonyl-1H-1,2,4-triazole

Guidance literature:: In methanol; water;

Reference yield:

: 576-83-0
2,4,6-trimethylphenyl bromide

: 149591-20-8
3-(2,4,6-trimethylphenyl)sulfonyl-1H-1,2,4-triazole

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 80 °C

2: 3-chloro-benzenecarboperoxoic acid / ethyl acetate

With potassium carbonate; 3-chloro-benzenecarboperoxoic acid; In ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1021/acs.jmedchem.5b00434