1-Methyluric acid

Base Information

• Chemical Name: 1-Methyluric acid
• CAS No.: 708-79-2
• Molecular Formula: C6H6N4O3
• Molecular Weight: 182.139
• Hs Code.: 29242990
• European Community (EC) Number: 211-905-7
• UNII: 2WS4HQ639J
• DSSTox Substance ID: DTXSID70221063
• Nikkaji Number: J94.928K
• Wikidata: Q27136940
• Metabolomics Workbench ID: 38249
• ChEMBL ID: CHEMBL793
• Mol file: 708-79-2.mol

Synonyms:1-methylurate;1-methyluric acid

Chemical Property of 1-Methyluric acid

Chemical Property:

• Melting Point: >325oC
• Refractive Index: 1.695
• Boiling Point: 315.51°C (rough estimate)
• PKA: 5.60±0.50(Predicted)
• PSA: 103.51000
• Density: 1.73g/cm3
• LogP: -1.75680
• Storage Temp.: Refrigerator
• Solubility.: Aqueous Base (Slightly, Heated), DMSO (Slightly, Heated, Sonicated)
• Water Solubility.: 1.585g/L(temperature not stated)
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 182.04399007
• Heavy Atom Count: 13
• Complexity: 359

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Methyluric acid ^*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: CN1C(=O)C2=C(NC(=O)N2)NC1=O
• Uses: 1-Methyluric acid has been used:for the determination of uric acid in stool samples by liquid chromatography and tandem mass spectrometryin turbidimetric assay of synthetic urine samplesas a substrate for CYP1A2(cytochrome P450 family 1 subfamily A member 2) assay

Technology Process of 1-Methyluric acid

There total 12 articles about 1-Methyluric 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:

1-methylxanthine (6136-37-4) → 1-methyluric acid (708-79-2)

Guidance literature:

With Arthrobacter M-4 xanthine oxidase; potassium phosphate buffer pH=7.25; In water; at 25 ℃; Product distribution; Inhibition of oxidation by different amounts of 3-substituted-6-phenyl-4(3H)-pteridinones;

Reference yield:

→ 1-methyluric acid (708-79-2)

Guidance literature:

With hydrogenchloride;

Reference yield:

urea (57-13-6) → 1-methyluric acid (708-79-2)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

1-methylxanthine

1,3-dimethyluric acid

hydrogenchloride

1-methyl-4,5-dimethoxy-4,5-dihydrouric acid

Downstream raw materials:

1,3-dimethyluric acid

8-acetoxy-7-acetyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

8-methoxycaffeine

8-acetoxy-7-acetyl-1-methyl-3,7-dihydro-purine-2,6-dione

Refernces

• 1、 Ogiso,Iwaki,Uno. "Inhibition kinetics of theophylline metabolism by mexiletine and its metabolites". . p. 75 - 81. Retrieved 2007/10/03.