6-[(2,6-difluorophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Base Information

Chemical Name:6-[(2,6-difluorophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CAS No.:221121-65-9
Molecular Formula:C11H8F2N2OS
Molecular Weight:254.26
Hs Code.:
DSSTox Substance ID:DTXSID80441139
Wikidata:Q82257757
Mol file:221121-65-9.mol

Synonyms:221121-65-9;6-(2,6-Difluorobenzyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one;6-[(2,6-difluorophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one;SCHEMBL5907178;DTXSID80441139;6-(2,6-difluorobenzyl)-2-thiouracil

Suppliers and Price of 6-[(2,6-difluorophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Supply Marketing:

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

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Chemical Property of 6-[(2,6-difluorophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:254.03254038
Heavy Atom Count:17
Complexity:363

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C(=C1)F)CC2=CC(=O)NC(=S)N2)F

Technology Process of 6-[(2,6-difluorophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

There total 2 articles about 6-[(2,6-difluorophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-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: 84.0%

: 17356-08-0
thiourea

: 221121-46-6
ethyl 4-(2,6-difluorophenyl)-3-oxobutanoate

: 221121-65-9
6-(2,6-difluorophenylmethyl)-3,4-dihydro-2-thioxopyrimidin-4(3H)-one

Guidance literature:: With sodium ethanolate; In ethanol; for 5h; Heating;
DOI:10.1021/jm980260f

Reference yield:

: 221121-33-1
2-(2,6-difluoro-phenyl)-1-imidazol-1-yl-ethanone

: 221121-65-9
6-(2,6-difluorophenylmethyl)-3,4-dihydro-2-thioxopyrimidin-4(3H)-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: MgCl₂; triethylamine

1.2: aq. HCl

2.1: EtONa

With sodium ethanolate; triethylamine; magnesium chloride;