3-(2-Fluorophenyl)-4-methyl-5-(methylsulfonyl)-4H-1,2,4-triazole

Base Information

Chemical Name:3-(2-Fluorophenyl)-4-methyl-5-(methylsulfonyl)-4H-1,2,4-triazole
CAS No.:116850-47-6
Molecular Formula:C₁₀H₁₀FN₃O₂S
Molecular Weight:255.273
Hs Code.:
DSSTox Substance ID:DTXSID20151543
Nikkaji Number:J577.064E
Wikidata:Q83018015
ChEMBL ID:CHEMBL28276
Mol file:116850-47-6.mol

Synonyms:116850-47-6;3-(2-Fluorophenyl)-4-methyl-5-(methylsulfonyl)-4H-1,2,4-triazole;4H-1,2,4-Triazole, 3-(2-fluorophenyl)-4-methyl-5-(methylsulfonyl)-;CHEMBL28276;C10H10FN3O2S;SCHEMBL9224690;DTXSID20151543;LS-156010;3-(Methylsulfonyl)-4-methyl-5-(2-fluorophenyl)-4H-1,2,4-triazole

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Supply Marketing:

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

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Chemical Property of 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfonyl)-4H-1,2,4-triazole

Chemical Property:

Vapor Pressure:2.34E-08mmHg at 25°C
Boiling Point:451.9°C at 760 mmHg
Flash Point:227.1°C
Density:1.43g/cm³
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:255.04777591
Heavy Atom Count:17
Complexity:370

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=NN=C1S(=O)(=O)C)C2=CC=CC=C2F

Technology Process of 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfonyl)-4H-1,2,4-triazole

There total 5 articles about 3-(2-Fluorophenyl)-4-methyl-5-(methylsulfonyl)-4H-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: 77.0%

: 116850-50-1
5-(2-fluorophenyl)-4-methyl-3-methylthio-4H-1,2,4-triazole

: 116850-47-6
3-(2-fluorophenyl)-4-methyl-5-methylsulfonyl-4H-1,2,4-triazole

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 17h;

Reference yield:

: 75-09-2
dichloromethane

: 116850-50-1
5-(2-fluorophenyl)-4-methyl-3-methylthio-4H-1,2,4-triazole

: 116850-47-6
3-(2-fluorophenyl)-4-methyl-5-methylsulfonyl-4H-1,2,4-triazole

Guidance literature:: With m-chloroperoxybenzoic acid; 3-chloro-benzenecarboperoxoic acid;

Reference yield:

: 446-24-2
2-fluorobezohydrazide

: 116850-47-6
3-(2-fluorophenyl)-4-methyl-5-methylsulfonyl-4H-1,2,4-triazole

Guidance literature:: Multi-step reaction with 4 steps

1: 79 percent / tetrahydrofuran / 2 h / Heating

2: 40 percent / 1M aq. NaHCO₃ / 24 h / Heating

3: 73 percent / aq. NaOH / ethanol / Ambient temperature

4: 77 percent / MCPBA / CH₂Cl₂ / 17 h

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