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

Base Information

Chemical Name:3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl-
CAS No.:117258-19-2
Molecular Formula:C9H8 F N3 O
Molecular Weight:193.1777
Hs Code.:
DSSTox Substance ID:DTXSID90151737
Nikkaji Number:J347.364C
Wikidata:Q83018276
ChEMBL ID:CHEMBL313858

Synonyms:BRN 4184665;3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl-;117258-19-2;2,4-Dihydro-5-(2-fluorophenyl)-4-methyl-3H-1,2,4-triazol-3-one;CHEMBL313858;DTXSID90151737;LS-156526;4-Methyl-5-(2-fluorophenyl)-2H-1,2,4-triazol-3(4H)-one

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

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-5-(2-fluorophenyl)-4-methyl-

Chemical Property:

PSA：50.94000
Density:1.38g/cm³
LogP:1.32680
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:193.06514005
Heavy Atom Count:14
Complexity:279

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=NNC1=O)C2=CC=CC=C2F

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

There total 2 articles about 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl- 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: 54.0%

: 129521-43-3
1-(2-fluorophenyl)-4-methylsemicarbazide

: 117258-19-2
2,4-dihydro-5-(2-fluorophenyl)-4-methyl-3H-1,2,4-triazol-3-one

Guidance literature:: With sodium hydroxide; for 23h; Heating;
DOI:10.1021/jm00172a015

Reference yield:

: 446-24-2
2-fluorobezohydrazide

: 117258-19-2
2,4-dihydro-5-(2-fluorophenyl)-4-methyl-3H-1,2,4-triazol-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: 42 percent / tetrahydrofuran / 17 h

2: 54 percent / aq. NaOH / 23 h / Heating

With sodium hydroxide; In tetrahydrofuran;
DOI:10.1021/jm00172a015