7,9-Dihydro-3,9-dimethyl-1H-purine-2,6,8(3H)-trione

Base Information

• Chemical Name: 7,9-Dihydro-3,9-dimethyl-1H-purine-2,6,8(3H)-trione
• CAS No.: 55441-63-9
• Molecular Formula: C7H8N4O3
• Molecular Weight: 196.166
• European Community (EC) Number: 259-640-6
• DSSTox Substance ID: DTXSID10204012
• Nikkaji Number: J266.995A
• Wikidata: Q83077462
• Metabolomics Workbench ID: 49733
• Mol file: 55441-63-9.mol

Synonyms:55441-63-9;3,9-dimethyl-7H-purine-2,6,8-trione;3,9-dimethyluric acid;7,9-Dihydro-3,9-dimethyl-1H-purine-2,6,8(3H)-trione;EINECS 259-640-6;3,9-Dimethyl-1H-purine-2,6,8(3H,7H,9H)-trione;3,9-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione;3,9-dimethyl uric acid;SCHEMBL10957749;DTXSID10204012;CHEBI:173966;AKOS006271487

Chemical Property of 7,9-Dihydro-3,9-dimethyl-1H-purine-2,6,8(3H)-trione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 93.17000
• Density: 1.63g/cm³
• LogP: -0.92180
• XLogP3: -0.9
• 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:

99% ^*data from raw suppliers

7,9-dihydro-3,9-dimethyl-1H-Purine-2,6,8(3H)-trione 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)NC(=O)N2C)NC1=O

Technology Process of 7,9-Dihydro-3,9-dimethyl-1H-purine-2,6,8(3H)-trione

There total 30 articles about 7,9-Dihydro-3,9-dimethyl-1H-purine-2,6,8(3H)-trione 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: 100.0%

6-methyl-7-methylamino-6H-imidazo[1,5-c]imidazole-1,3,5-trione (630112-49-1) → 3,9-dimethyluric acid (55441-63-9)

Guidance literature:

With acetic acid; for 0.166667h; Heating;

DOI:10.1021/ol035429k

Reference yield: 45.0%

8-bromo-3,9-dimethyl-1H-purine-2,6(3H,9H)-dione (214960-57-3) → 3,9-dimethyluric acid (55441-63-9) + 3,9-dimethyl-8-isopropoxyxanthine

Guidance literature:

With potassium hydroxide; In isopropyl alcohol; for 12h; Heating;

DOI:10.1002/jhet.5570350428

Reference yield: 18.0%

isopropyl alcohol (67-63-0,8013-70-5) + 8-bromo-3,9-dimethyl-1H-purine-2,6(3H,9H)-dione (214960-57-3) → 3,9-dimethyluric acid (55441-63-9) + 3,9-dimethyl-8-isopropoxyxanthine

Guidance literature:

With potassium hydroxide; for 12h; Heating;

DOI:10.1002/jhet.5570350428

upstream raw materials:

uric Acid

1,2-dichloro-benzene

methyl p-toluene sulfonate

tetrachloromethane

Downstream raw materials:

theacrine

1-methylalloxan

N-Methylurea

ammonia

Refernces

• 1、 Youssef, Shaker,Pfleiderer, Wolfgang. "Purines XIV. [1]. Reactivity of 8-Bromo-3,9-dimethylxanthine Towards Some Nucleophilic Reagents". . p. 949 - 954. Retrieved 2007/10/03.