Xanthine

Base Information Edit

Chemical Name:Xanthine
CAS No.:69-89-6
Deprecated CAS:16819-86-6,28522-58-9,33669-67-9,42911-15-9,6050-36-8,6053-41-4,51953-26-5,28522-58-9,33669-67-9,42911-15-9,51953-26-5,6050-36-8,6053-41-4
Molecular Formula:C5H4N4O2
Molecular Weight:152.112
Hs Code.:29335990
European Community (EC) Number:200-718-6
NSC Number:14664
UNII:1AVZ07U9S7
DSSTox Substance ID:DTXSID4035120
Nikkaji Number:J2.371J
Wikipedia:Xanthine
Wikidata:Q50980
Metabolomics Workbench ID:37186
ChEMBL ID:CHEMBL1424
Mol file:69-89-6.mol

Synonyms:Xanthine

Suppliers and Price of Xanthine

Supply Marketing:Edit

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

Usbiological
Xanthine
2.5g
$ 418.00

Usbiological
Xanthine 99+%
5g
$ 156.00

TRC
Xanthine
25g
$ 340.00

TRC
Xanthine
10g
$ 145.00

TCI Chemical
Xanthine >98.0%(HPLC)
25g
$ 57.00

Sigma-Aldrich
Xanthine
5gm
$ 77.20

Sigma-Aldrich
Xanthine ≥99.5% (HPLC), purified by recrystallization
5g
$ 75.60

Sigma-Aldrich
Xanthine BioUltra, ≥99%
1g
$ 65.30

Sigma-Aldrich
Xanthine ≥99%
10g
$ 58.60

Sigma-Aldrich
Xanthine BioUltra, ≥99%
5g
$ 145.00

Total 184 raw suppliers

Chemical Property of Xanthine Edit

Chemical Property:

Appearance/Colour:White to off-white crystalline powder
Melting Point:300 °C
Refractive Index:1.989
Boiling Point:834.9 °C at 760 mmHg
PKA:pKa 9.95 (Uncertain)
Flash Point:458.7 °C
PSA：94.40000
Density:1.94 g/cm³
LogP:-1.06050
Storage Temp.:Store at RT.
Solubility.:NH4OH: freely soluble
Water Solubility.:Soluble in water(0.067g/L).
XLogP3:-0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:152.03342538
Heavy Atom Count:11
Complexity:217

Purity/Quality:

99% ^*data from raw suppliers

Xanthine ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36-43-36/37/38
Safety Statements: 36/37-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Nitrogen Compounds -> Purines
Canonical SMILES:C1=NC2=C(N1)C(=O)NC(=O)N2
Recent ClinicalTrials:Effects of Xanthohumol on Metabolic Syndrome Progression
Uses 2,6-Dihydroxypurine was fund in animal organs, yeast, patatoes, coffee beans, tea. 2,6-Dihydroxypurine can be used to relax and widen certain breathing passages of the lungs. It is also found that a large number of derivatives have adenoside receptor antagonist properties. Xanthine and xanthine oxidase system can be used to produce superoxide radicals.

Technology Process of Xanthine

There total 114 articles about Xanthine 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: 69.0%

: 73-40-5
guanine

: 69-89-6,6053-41-4
xanthin

Guidance literature:: With perchloric acid; at 110 - 130 ℃; for 0.25h;
DOI:10.1002/ejoc.200700271

Reference yield: 10.0%

: 1774-47-6
trimethylsulfoxonium iodide

: 81980-39-4
Carbamic acid (1S,2R)-2,7-diamino-1-[9-(4-hydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-6-oxo-6,9-dihydro-1H-purin-2-ylamino]-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-ylmethyl ester

: 938-85-2
1-methylguanine

: 73-40-5
2-amino-1,9-dihydro-6H-purin-6-one

: 578-76-7
7-methylguanine

: 69-89-6
xanthine

: 2958-98-7
3-methylguanine

Guidance literature:: With hydrogenchloride; hydroxy-1-propyne; In dimethyl sulfoxide; at 100 ℃; for 1h; Product distribution;
DOI:10.1248/cpb.31.861