1,3,7-Trimethyl-8-phenylxanthine

Base Information

Chemical Name:1,3,7-Trimethyl-8-phenylxanthine
CAS No.:6439-88-9
Molecular Formula:C14H14N4O2
Molecular Weight:270.291
Hs Code.:
UNII:3IGY251T33
ChEMBL ID:CHEMBL21053
DSSTox Substance ID:DTXSID10485465
Nikkaji Number:J562.207G
Wikidata:Q82324674

Synonyms:8-phenylcaffeine;1,3,7-Trimethyl-8-phenylxanthine;6439-88-9;3IGY251T33;1,3,7-TRIMETHYL-8-PHENYLPURINE-2,6-DIONE;Oprea1_100136;CHEMBL21053;UNII-3IGY251T33;1,3,7-Trimethyl-8-phenyl-3,7-dihydro-purine-2,6-dione;1,3,7-Trimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione;1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-8-phenyl;SCHEMBL4146728;DTXSID10485465;BDBM50018171;1,3,7-trimethyl-8-phenyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione

Suppliers and Price of 1,3,7-Trimethyl-8-phenylxanthine

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 1,3,7-Trimethyl-8-phenylxanthine

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:270.11167570
Heavy Atom Count:20
Complexity:421

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(N=C1C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Technology Process of 1,3,7-Trimethyl-8-phenylxanthine

There total 35 articles about 1,3,7-Trimethyl-8-phenylxanthine 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: 98.0%

: 108-86-1,52753-63-6
bromobenzene

: 58-08-2,138455-22-8,95789-13-2
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

: 6439-88-9
1,3,7-trimethyl-8-phenylxanthine

Guidance literature:: With potassium phosphate; palladium diacetate; Trimethylacetic acid; In N,N-dimethyl-formamide; at 20 - 120 ℃; for 7.16667h; Inert atmosphere;
DOI:10.1002/chem.200802001

Reference yield: 93.0%

: 58-08-2,138455-22-8,95789-13-2
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

: 873-55-2
sodium benzenesulfonate

: 6439-88-9
1,3,7-trimethyl-8-phenylxanthine

Guidance literature:: With bis(benzonitrile)palladium(II) dichloride; copper diacetate; In 1,4-dioxane; dimethyl sulfoxide; at 20 - 110 ℃; for 24.08h; Inert atmosphere;
DOI:10.1002/chem.201102644

Reference yield: 90.0%

: 130332-80-8
1,3,7-trimethyl-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione

: 98-80-6
phenylboronic acid

: 6439-88-9
1,3,7-trimethyl-8-phenylxanthine

Guidance literature:: With copper(I) thiophene-2-carboxylate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; at 60 ℃; for 24h; Inert atmosphere;
DOI:10.1016/j.tetlet.2013.08.097