4-Ethyl-3-(2-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazole

Base Information

Chemical Name:4-Ethyl-3-(2-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazole
CAS No.:116850-64-7
Molecular Formula:C₁₁H₁₂FN₃S
Molecular Weight:237.301
Hs Code.:
DSSTox Substance ID:DTXSID50151551
Nikkaji Number:J577.068H
Wikidata:Q83018025
ChEMBL ID:CHEMBL279446

Synonyms:116850-64-7;4-Ethyl-3-(2-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazole;4H-1,2,4-Triazole, 4-ethyl-3-(2-fluorophenyl)-5-(methylthio)-;CHEMBL279446;SCHEMBL9226657;DTXSID50151551;LS-155995;3-(Methylthio)-4-ethyl-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 4-Ethyl-3-(2-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazole

Chemical Property:

Vapor Pressure:1.42E-06mmHg at 25°C
Boiling Point:399°Cat760mmHg
Flash Point:195.1°C
Density:1.25g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:237.07359673
Heavy Atom Count:16
Complexity:229

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C(=NN=C1SC)C2=CC=CC=C2F

Technology Process of 4-Ethyl-3-(2-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazole

There total 4 articles about 4-Ethyl-3-(2-fluorophenyl)-5-(methylthio)-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: 74.0%

: 2,4-dihydro-4-ethyl-5-(2-fluorophenyl)-3H-1,2,4-triazole-3-thione

: 74-88-4
methyl iodide

: 116850-64-7
4-ethyl-5-(2-fluorophenyl)-3-methylthio-4H-1,2,4-triazole

Guidance literature:: With sodium hydroxide; In ethanol; Ambient temperature;

Reference yield:

: 393-52-2
2-Fluorobenzoyl chloride

: 116850-64-7
4-ethyl-5-(2-fluorophenyl)-3-methylthio-4H-1,2,4-triazole

Guidance literature:: Multi-step reaction with 3 steps

1: 49 percent / pyridine / 17 h / Ambient temperature

2: 48 percent / 1M aq. NaHCO₃ / 24 h / Heating

3: 74 percent / aq. NaOH / ethanol / Ambient temperature

With pyridine; sodium hydroxide; sodium hydrogencarbonate; In ethanol;

Reference yield:

: 154106-06-6
4-ethyl-1-(2-fluorobenzoyl)thiosemicarbazide

: 116850-64-7
4-ethyl-5-(2-fluorophenyl)-3-methylthio-4H-1,2,4-triazole

Guidance literature:: Multi-step reaction with 2 steps

1: 48 percent / 1M aq. NaHCO₃ / 24 h / Heating

2: 74 percent / aq. NaOH / ethanol / Ambient temperature

With sodium hydroxide; sodium hydrogencarbonate; In ethanol;