1,3,7-TRIMETHYLURIC ACID

Base Information

Chemical Name:1,3,7-TRIMETHYLURIC ACID
CAS No.:5415-44-1
Molecular Formula:C8H10 N4 O3
Molecular Weight:210.192
Hs Code.:2933990090
European Community (EC) Number:226-507-9
NSC Number:95858,11259
UNII:Z61UN6MHB7
DSSTox Substance ID:DTXSID50202496
Nikkaji Number:J2.233K
Wikipedia:1,3,7-Trimethyluric_acid
Wikidata:Q18343388
Metabolomics Workbench ID:38031
ChEMBL ID:CHEMBL1767
Mol file:5415-44-1.mol

Synonyms:Uric acid,1,3,7-trimethyl- (6CI,7CI,8CI); 1,3,7-Trimethyluric acid; Ba 2753; NSC 11259;NSC 95858

Suppliers and Price of 1,3,7-TRIMETHYLURIC ACID

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

TRC
1,3,7-TrimethyluricAcid
50mg
$ 100.00

TRC
1,3,7-TrimethyluricAcid
500mg
$ 820.00

Medical Isotopes, Inc.
1,3,7-TrimethyluricAcid-13C4,15N3 >98%
5 mg
$ 1800.00

Cayman Chemical
1,3,7-Trimethyluric Acid ≥98%
50mg
$ 93.00

Cayman Chemical
1,3,7-Trimethyluric Acid ≥98%
25mg
$ 49.00

Cayman Chemical
1,3,7-Trimethyluric Acid ≥98%
250mg
$ 392.00

Cayman Chemical
1,3,7-Trimethyluric Acid ≥98%
100mg
$ 176.00

American Custom Chemicals Corporation
1,3,7-TRIMETHYLURIC ACID 95.00%
250MG
$ 639.96

AK Scientific
1,3,7-Trimethyluricacid
25mg
$ 166.00

Total 27 raw suppliers

Chemical Property of 1,3,7-TRIMETHYLURIC ACID

Chemical Property:

Melting Point:≥300 °C
Refractive Index:1.6590 (estimate)
Boiling Point:476.7°Cat760mmHg
PKA:5.85±0.70(Predicted)
Flash Point:242.1°C
PSA：81.79000
Density:1.55g/cm³
LogP:-1.73600
Storage Temp.:Refrigerator
Solubility.:DMSO (Slightly, Heated), Methanol (Slightly, Heated)
Water Solubility.:24mg/L(room temperature)
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:210.07529019
Heavy Atom Count:15
Complexity:414

Purity/Quality:

98% ^*data from raw suppliers

1,3,7-TrimethyluricAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C
General Description 1,3,7-Trimethyluric acid is a metabolite formed during the hydroxyl radical (OH^?) reaction with caffeine (1,3,7-trimethylxanthine), particularly in the absence of oxygen, where it is produced with a yield of 28%. The formation of 1,3,7-TRIMETHYLURIC ACID is significantly reduced by more than 50% in the presence of oxygen. The reaction involves OH^? addition to the C-8 position of caffeine, leading to the X-8OH^? adduct, which does not undergo ring opening, unlike the C-4 adduct. This suggests that 1,3,7-trimethyluric acid arises from specific oxidative pathways in caffeine metabolism under certain conditions.

Technology Process of 1,3,7-TRIMETHYLURIC ACID

There total 61 articles about 1,3,7-TRIMETHYLURIC ACID 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: 89.0%