8-(2-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

Base Information

Chemical Name:8-(2-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CAS No.:85872-56-6
Molecular Formula:C13H11FN4O2
Molecular Weight:274.254
Hs Code.:
DSSTox Substance ID:DTXSID40402443
Nikkaji Number:J456.757I
Wikidata:Q82205855
ChEMBL ID:CHEMBL275329

Synonyms:CHEMBL275329;85872-56-6;ST50990064;DTXSID40402443;8-(2-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione;BDBM50020982;AKOS024360232;1,3-Dimethyl-8-(2-fluorophenyl)xanthine

Suppliers and Price of 8-(2-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 8-(2-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:274.08660377
Heavy Atom Count:20
Complexity:433

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3F

Technology Process of 8-(2-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

There total 3 articles about 8-(2-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 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: 71.0%

: 6-Amino-5-{[1-(2-fluoro-phenyl)-meth-(E)-ylidene]-amino}-1,3-dimethyl-1H-pyrimidine-2,4-dione

: 85872-56-6
N₁,N₃-dimethyl-8-o-fluorophenylxanthine

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In acetonitrile; Ambient temperature;

Reference yield:

: 5440-00-6
4,5-Diamino-1,3-dimethyluracil

: 85872-56-6
N₁,N₃-dimethyl-8-o-fluorophenylxanthine

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / ethanol

2: 71 percent / 85 percent m-CPBA / acetonitrile / Ambient temperature

With 3-chloro-benzenecarboperoxoic acid; In ethanol; acetonitrile;

Reference yield:

: 446-52-6
2-Fluorobenzaldehyde

: 85872-56-6
N₁,N₃-dimethyl-8-o-fluorophenylxanthine

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / ethanol

2: 71 percent / 85 percent m-CPBA / acetonitrile / Ambient temperature

With 3-chloro-benzenecarboperoxoic acid; In ethanol; acetonitrile;