9-Methyluric acid

Base Information

• Chemical Name: 9-Methyluric acid
• CAS No.: 55441-71-9
• Molecular Formula: C6H6N4O3
• Molecular Weight: 182.139
• Hs Code.: 2933990090
• European Community (EC) Number: 259-641-1
• UNII: S4TO803W5P
• DSSTox Substance ID: DTXSID10970785
• Nikkaji Number: J266.996J
• Wikidata: Q27094215
• Metabolomics Workbench ID: 37958
• ChEMBL ID: CHEMBL34921
• Mol file: 55441-71-9.mol

Synonyms:9-methyluric acid

Chemical Property of 9-Methyluric acid

Chemical Property:

• Appearance/Colour: White to light yellow powder
• Refractive Index: 1.695
• Boiling Point: 315.51°C (rough estimate)
• PSA: 103.51000
• Density: 1.73g/cm³
• LogP: -1.75680
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Aqueous Base (Slightly), Methanol (Slightly)
• Water Solubility.: 546.1mg/L(temperature not stated)
• XLogP3: -1.1
• 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

9-Methyluric acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1C2=C(C(=O)NC(=O)N2)NC1=O

Technology Process of 9-Methyluric acid

There total 25 articles about 9-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: 35.0%

9-methyl-8-nitroxanthine (153285-53-1) → 9-methyluric acid (55441-71-9)

Guidance literature:

With sodium hydroxide; at 80 - 90 ℃; for 2h;

DOI:10.1002/jhet.5570300509

Reference yield:

→ 9-methyluric acid (55441-71-9)

Guidance literature:

With hydrogenchloride; at 125 ℃;

Reference yield:

→ 9-methyluric acid (55441-71-9)

Guidance literature:

With hydrogenchloride; at 130 ℃;

upstream raw materials:

1-methyldiazolidine-2,4-dione

BIURET

urea

uric Acid

Downstream raw materials:

6-(methylamino)pyrimidine-2,4(1H,3H)-dione

pyrimidine-2,4,5,6(1H,3H)-tetraone

N-Methylurea

ammonia

Refernces

• 1、 Hill. "-". . p. 370,1093. Retrieved 1876.
• 2、 Goyal, R. N.. "Electrochemical Behaviour of 9-Methylxanthine at Glassy Carbon Electrode". . p. 343 - 347. Retrieved 2007/10/02.