3,7-Dimethylhypoxanthine

Base Information

• Chemical Name: 3,7-Dimethylhypoxanthine
• CAS No.: 19143-59-0
• Molecular Formula: C7H8N4O
• Molecular Weight: 164.16500
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50553990
• Nikkaji Number: J14.735D
• Wikidata: Q82434764
• Mol file: 19143-59-0.mol

Synonyms:19143-59-0;3,7-dimethyl-3H-purin-6(7H)-one;3,7-DIMETHYLPURIN-6-ONE;3,7-Dihydro-3,7-dimethyl-6H-purin-6-one;3,7-dimethyl-6,7-dihydro-3H-purin-6-one;3,7-Dimethylhypoxanthine;DTXSID50553990;3,7-Dimethyl-3,7-dihydro-6H-purin-6-one

Chemical Property of 3,7-Dimethylhypoxanthine

Chemical Property:

• PSA: 52.71000
• LogP: -0.33300
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 164.06981089
• Heavy Atom Count: 12
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC2=C1C(=O)N=CN2C

Technology Process of 3,7-Dimethylhypoxanthine

There total 3 articles about 3,7-Dimethylhypoxanthine 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: 21.0%

3-methylhypoxanthine (1006-11-7) + methyl iodide (74-88-4) → 1,N-dimethyl-4-(N-methylformamido)-1H-imidazole-5-carboxamide + 3,7-Dimethylhypoxanthin (19143-59-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl acetamide; for 16h; Ambient temperature;

Reference yield: 1.0%

3,7-dimethyladenine hydriodide → 1-methyl-4-(N-methylamino)-1H-imidazole-5-carboxamide (64995-64-8) + 3,7-Dimethylhypoxanthin (19143-59-0)

Guidance literature:

With sodium hydroxide; at 80 ℃; for 0.5h; Yields of byproduct given;

Reference yield:

→ 3,7-Dimethylhypoxanthin (19143-59-0)

Guidance literature:

Ia;

upstream raw materials:

3-methylhypoxanthine

methyl iodide