6-(2-Oxo-2-phenylethyl)-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one

Base Information

Chemical Name:6-(2-Oxo-2-phenylethyl)-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
CAS No.:89569-81-3
Molecular Formula:C₁₁H₉N₃O₂S
Molecular Weight:247.277
Hs Code.:
DSSTox Substance ID:DTXSID00523880
Wikidata:Q82390275

Synonyms:89569-81-3;DTXSID00523880;6-(2-Oxo-2-phenylethyl)-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one

Suppliers and Price of 6-(2-Oxo-2-phenylethyl)-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one

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 0 raw suppliers

Chemical Property of 6-(2-Oxo-2-phenylethyl)-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:247.04154771
Heavy Atom Count:17
Complexity:386

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)CC2=NNC(=S)NC2=O

Technology Process of 6-(2-Oxo-2-phenylethyl)-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one

There total 4 articles about 6-(2-Oxo-2-phenylethyl)-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one 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:

: 5817-92-5
2,4-dioxo-4-phenylbutanoic acid

: 89569-81-3
3-Mercapto-6-(2-oxo-2-phenyl-ethyl)-2H-[1,2,4]triazin-5-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1N NaOH / H₂O; acetic acid / Ambient temperature; overnight

2: ethanol / 12 h / Heating

With sodium hydroxide; In ethanol; water; acetic acid;

Reference yield:

: 96811-81-3
C₁₁H₁₁N₃O₃S

: 89569-81-3
3-Mercapto-6-(2-oxo-2-phenyl-ethyl)-2H-[1,2,4]triazin-5-one

Guidance literature:: In ethanol; for 12h; Yield given; Heating;

Reference yield:

: 6296-54-4
ethyl 2,4-dioxo-4-phenylbutyrate

: 79-19-6
thiosemicarbazide

: 89569-81-3
3-Mercapto-6-(2-oxo-2-phenyl-ethyl)-2H-[1,2,4]triazin-5-one

Guidance literature:: With sodium hydroxide; Yield given. Multistep reaction; 1.) water, reflux, 5 min, room temp.,2 h; 2.) water, reflux, 15 min;