1,7-Dimethyluric acid

Base Information

• Chemical Name: 1,7-Dimethyluric acid
• CAS No.: 33868-03-0
• Molecular Formula: C7H8 N4 O3
• Molecular Weight: 196.166
• Hs Code.: 2933990090
• European Community (EC) Number: 251-706-2
• UNII: Z633Z7KAJU
• DSSTox Substance ID: DTXSID30187499
• Nikkaji Number: J308.550C
• Wikidata: Q21546942
• Metabolomics Workbench ID: 41118
• ChEMBL ID: CHEMBL794
• Mol file: 33868-03-0.mol

Synonyms:1,7-dimethyluric acid

Chemical Property of 1,7-Dimethyluric acid

Chemical Property:

• Melting Point: ≥300 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 92.65000
• Density: 1.63g/cm³
• LogP: -1.74640
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly, Heated)
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 196.05964013
• Heavy Atom Count: 14
• Complexity: 386

Purity/Quality:

98%Min ^*data from raw suppliers

1,7-Dimethyluric Acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(NC1=O)NC(=O)N(C2=O)C
• Description: 1,7-Dimethyluric acid is a metabolite of caffeine produced by the action of xanthine oxidase on paraxanthine. It can be detected in urine as a biomarker of caffeine consumption.
• Uses: A metabolite of Caffeine 1,7-Dimethyluric acid is the suitable reagent used for the simultaneous determination of plasma levels of theophylline and its metabolites without interference from caffeine or caffeine metabolites by HPLC.

Technology Process of 1,7-Dimethyluric acid

There total 16 articles about 1,7-Dimethyluric 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:

paraxanthine (611-59-6) → 1,7-dimethyluric acid (33868-03-0)

Guidance literature:

With phosphate buffer; D-glucose; 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione; mixed culture of Klebsiella and Rhodococcus; at 29 - 30 ℃; for 12h; Yield given;

DOI:10.1039/a900089e

Reference yield:

1-methylalloxan (2757-83-7) → 1,7-dimethyluric acid (33868-03-0)

Guidance literature:

With water; at 80 ℃; loest das Reaktionsgemisch in konz. Salzsaeure, dampft im Vakuum bei hoechstens 60grad ein, erhitzt den Rueckstand mit Kaliumcyanat und behandeln das Reaktionsprodukt mit 20%iger Salzsaeure bei 100grad;

Reference yield:

→ 1,7-dimethyluric acid (33868-03-0)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

2-methoxy-1,7-dimethyl-7,9-dihydro-1H-purine-6,8-dione

paraxanthine

hydrogenchloride

5-chloro-1,7-dimethyl-5,7-dihydro-3H-purine-2,6,8-trione

Downstream raw materials:

1-methylalloxan

N-Methylurea

8-chloro-1,7-dimethyl-1H-purine-2,6(3H,7H)-dione

1,3,7-trimethyluric acid