7-Methyluric acid

Base Information

• Chemical Name: 7-Methyluric acid
• CAS No.: 612-37-3
• Molecular Formula: C6H6 N4 O3
• Molecular Weight: 182.139
• Hs Code.: 2933990090
• European Community (EC) Number: 210-307-3
• UNII: 0040741VCN
• DSSTox Substance ID: DTXSID40210106
• Nikkaji Number: J252.499F
• Wikidata: Q27149521
• Metabolomics Workbench ID: 41122
• ChEMBL ID: CHEMBL34869
• Mol file: 612-37-3.mol

Synonyms:7-Methyluric acid;612-37-3;7-methyl-3,9-dihydropurine-2,6,8-trione;N7-Methyluric Acid;7-Methyl-1H-purine-2,6,8(3H,7H,9H)-trione;7,9-Dihydro-7-methyl-1H-purine-2,6,8(3H)-trione;1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-7-methyl-;UNII-0040741VCN;CHEBI:80470;EINECS 210-307-3;0040741VCN;7-methyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione;7-methylurate;7-methyl uric acid;7-methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione;CHEMBL34869;URIC ACID, 7-METHYL-;7-MU;SCHEMBL2411317;SCHEMBL21393465;DTXSID40210106;MFCD00042772;LC-tDDA;CE10;AKOS006230688;AS-44330;FT-0672363;A13616;EN300-181969;Q27149521;Z1198148402

Chemical Property of 7-Methyluric acid

Chemical Property:

• Melting Point: >300 °C(lit.)
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 315.51°C (rough estimate)
• PKA: 5.85±0.70(Predicted)
• PSA: 103.51000
• Density: 1.73g/cm³
• LogP: -1.75680
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly, Heated)
• XLogP3: -1.2
• 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%min ^*data from raw suppliers

7-Methyluric Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(NC(=O)NC2=O)NC1=O
• Uses: A metabolite of Theobromine.

Technology Process of 7-Methyluric acid

There total 19 articles about 7-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: 37.0%

7-methyl-8 nitroxanthine → 7-methyluric acid (612-37-3)

Guidance literature:

With sodium hydroxide; at 90 ℃; for 0.5h;

DOI:10.1002/jhet.5570300509

Reference yield:

→ 7-methyluric acid (612-37-3)

Guidance literature:

With hydrogenchloride; tin;

Reference yield:

2,6-dichloro-7-methyl-7,9-dihydro-purin-8-one (1688-98-8) → 7-methyluric acid (612-37-3)

Guidance literature:

With hydrogenchloride; at 130 ℃;

upstream raw materials:

2,6-dichloro-7-methyl-7,9-dihydro-purin-8-one

dihydro-6-hydroxypyrimidine-2,4,5(3H)-trione

N-Methylurea

2,6,8-trichloro-7-methylpurine

Downstream raw materials:

8-methoxycaffeine

sarcosine

ammonia

methylammonium carbonate

Refernces