3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethyl-5-(3-(trifluoromethyl)phenyl)-

Base Information

Chemical Name:3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethyl-5-(3-(trifluoromethyl)phenyl)-
CAS No.:129521-48-8
Molecular Formula:C11H10 F3 N3 O
Molecular Weight:257.2118
Hs Code.:
DSSTox Substance ID:DTXSID40156191
Nikkaji Number:J347.366J
Wikidata:Q83024218
ChEMBL ID:CHEMBL96690

Synonyms:BRN 4195873;129521-48-8;3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethyl-5-(3-(trifluoromethyl)phenyl)-;2,4-Dihydro-4-ethyl-5-(3-(trifluoromethyl)phenyl)-3H-1,2,4-triazol-3-one;CHEMBL96690;DTXSID40156191;LS-156524;4-Ethyl-5-(3-trifluoromethylphenyl)-2H-1,2,4-triazol-3(4H)-one

Suppliers and Price of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethyl-5-(3-(trifluoromethyl)phenyl)-

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

Total 4 raw suppliers

Chemical Property of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethyl-5-(3-(trifluoromethyl)phenyl)-

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.4g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:257.07759644
Heavy Atom Count:18
Complexity:367

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C(=NNC1=O)C2=CC(=CC=C2)C(F)(F)F

Technology Process of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethyl-5-(3-(trifluoromethyl)phenyl)-

There total 2 articles about 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethyl-5-(3-(trifluoromethyl)phenyl)- 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: 52.0%

: 129521-44-4
C₁₁H₁₂F₃N₃O₂

: 129521-48-8
4-Ethyl-5-(3-trifluoromethyl-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one

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

Reference yield:

: 22227-25-4
3-(trifluoromethyl)benzene-1-carbohydrazide

: 129521-48-8
4-Ethyl-5-(3-trifluoromethyl-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: 29 percent / tetrahydrofuran / 17 h

2: 52 percent / aq. NaOH / 23 h / Heating

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