3-Mercapto-5,6-bis(4-fluorophenyl)-1,2,4-triazine

Base Information

Chemical Name:3-Mercapto-5,6-bis(4-fluorophenyl)-1,2,4-triazine
CAS No.:59663-51-3
Molecular Formula:C15H9F2N3S
Molecular Weight:301.319
Hs Code.:
DSSTox Substance ID:DTXSID20401333
Wikidata:Q82204415

Synonyms:3-Mercapto-5,6-bis(4-fluorophenyl)-1,2,4-triazine;59663-51-3;AC1N6HE9;5,6-bis(4-fluorophenyl)-2H-1,2,4-triazine-3-thione;SCHEMBL11714829;DTXSID20401333;DLDBGTWAPXNUNC-UHFFFAOYSA-N;AKOS004911593;SR-01000554291;5,6-bis(4-fluorophenyl)-1,2,4-triazine-3-thiol;SR-01000554291-1

Suppliers and Price of 3-Mercapto-5,6-bis(4-fluorophenyl)-1,2,4-triazine

Supply Marketing:

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

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Chemical Property of 3-Mercapto-5,6-bis(4-fluorophenyl)-1,2,4-triazine

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:301.04852480
Heavy Atom Count:21
Complexity:462

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=NC(=S)NN=C2C3=CC=C(C=C3)F)F

Technology Process of 3-Mercapto-5,6-bis(4-fluorophenyl)-1,2,4-triazine

There total 4 articles about 3-Mercapto-5,6-bis(4-fluorophenyl)-1,2,4-triazine 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: 83.0%

: 579-39-5
1,2-bis(4-fluorophenyl)ethane-1,2-dione

: 79-19-6
thiosemicarbazide

: 59663-51-3
5,6-bis(4-fluorophenyl)-3-mercapto-1,2,4-triazine

Guidance literature:: With hydrogenchloride; In ethanol; water; at 120 ℃; for 0.166667h; Solvent; Microwave irradiation;
DOI:10.1007/s00044-013-0843-6

Reference yield:

: 459-57-4
4-fluorobenzaldehyde

: 59663-51-3
5,6-bis(4-fluorophenyl)-3-mercapto-1,2,4-triazine

Guidance literature:: Multi-step reaction with 3 steps

1: Thiamine hydrochloride; sodium hydroxide / ethanol / 1.5 h / Reflux

2: ammonium nitrate; copper(II) acetate monohydrate; acetic acid / 1.5 h / Reflux

3: acetic acid / 3 h / Reflux

With ammonium nitrate; copper(II) acetate monohydrate; Thiamine hydrochloride; acetic acid; sodium hydroxide; In ethanol;
DOI:10.1016/j.bmcl.2016.04.071

Reference yield:

: 53458-16-5
1,2-bis(4-fluorophenyl)-2-hydroxyethan-1-one

: 59663-51-3
5,6-bis(4-fluorophenyl)-3-mercapto-1,2,4-triazine

Guidance literature:: Multi-step reaction with 2 steps

1: ammonium nitrate; copper(II) acetate monohydrate; acetic acid / 1.5 h / Reflux

2: acetic acid / 3 h / Reflux

With ammonium nitrate; copper(II) acetate monohydrate; acetic acid;
DOI:10.1016/j.bmcl.2016.04.071