3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-

Base Information

Chemical Name:3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-
CAS No.:116114-16-0
Molecular Formula:C10H10 F N3 O
Molecular Weight:207.2043
Hs Code.:
DSSTox Substance ID:DTXSID40151282
Nikkaji Number:J347.381C
Wikidata:Q83017710
ChEMBL ID:CHEMBL96940

Synonyms:BRN 4189104;3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-;116114-16-0;2,4-Dihydro-2,4-dimethyl-5-(4-fluorophenyl)-3H-1,2,4-triazol-3-one;C10H10FN3O;CHEMBL96940;DTXSID40151282;LS-156510;2,4-Dimethyl-5-(4-fluorophenyl)-2H-1,2,4-triazol-3(4H)-one

Suppliers and Price of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-

Supply Marketing:

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

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Chemical Property of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-

Chemical Property:

Vapor Pressure:0.0124mmHg at 25°C
Boiling Point:260.2°Cat760mmHg
Flash Point:111.2°C
Density:1.28g/cm³
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:207.08079011
Heavy Atom Count:15
Complexity:297

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=NN(C1=O)C)C2=CC=C(C=C2)F

Technology Process of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-

There total 1 articles about 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)- 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: 63.0%

: 116114-21-7
3-(4-fluorophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

: 74-88-4
methyl iodide

: 116114-16-0
5-(4-Fluoro-phenyl)-2,4-dimethyl-2,4-dihydro-[1,2,4]triazol-3-one

Guidance literature:: With sodium hydroxide; In ethanol; for 24h;
DOI:10.1021/jm00172a015

Reference yield: 72.0%

: 116114-16-0
5-(4-Fluoro-phenyl)-2,4-dimethyl-2,4-dihydro-[1,2,4]triazol-3-one

: 110623-34-2
5-(4-fluorophenyl)-2,4-dimethyl-3H-1,2,4-triazole-3-thione

Guidance literature:: With bis(tricyclohexyltin)sulfide; boron trichloride; In dichloromethane; toluene; for 17h; Heating;
DOI:10.1055/s-1987-28119