1,7-Dimethylhypoxanthine

Base Information

• Chemical Name: 1,7-Dimethylhypoxanthine
• CAS No.: 33155-83-8
• Molecular Formula: C7H8 N4 O
• Molecular Weight: 164.167
• Hs Code.: 2933990090
• European Community (EC) Number: 251-395-3
• NSC Number: 26296
• UNII: J9IVN575QZ
• DSSTox Substance ID: DTXSID90186802
• Nikkaji Number: J3.177A
• Wikidata: Q27281382
• Mol file: 33155-83-8.mol

Synonyms:1,7-Dimethylhypoxanthine;33155-83-8;Hypoxanthine, 1,7-dimethyl-;1,7-dimethyl-1H-purin-6(7H)-one;6H-Purin-6-one, 1,7-dihydro-1,7-dimethyl-;1,7-Dihydro-1,7-dimethyl-6H-purin-6-one;UNII-J9IVN575QZ;J9IVN575QZ;EINECS 251-395-3;NSC 26296;NSC-26296;6H-Purin-6-one,1,7-dihydro-1,7-dimethyl-;NSC26296;Hypoxanthine,7-dimethyl-;SCHEMBL20203174;DTXSID90186802;DIMETHYLHYPOXANTHINE, 1,7-;6H-Purin-6-one,7-dihydro-1,7-dimethyl-;1,7-dimethyl-6,7-dihydro-1H-purin-6-one;1,7-Dimethyl-1,7-dihydro-6H-purin-6-one #;Q27281382

Chemical Property of 1,7-Dimethylhypoxanthine

Chemical Property:

• Vapor Pressure: 4.24E-07mmHg at 25°C
• Melting Point: 245-246 °C
• Boiling Point: 415.1°Cat760mmHg
• PKA: 2.77±0.50(Predicted)
• Flash Point: 204.8°C
• PSA: 52.71000
• Density: 1.43g/cm³
• LogP: -0.33300
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• 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(C=N2)C

Technology Process of 1,7-Dimethylhypoxanthine

There total 5 articles about 1,7-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: 63.0%

1,7-dimethyladenine (51584-33-9) → 1,7-dimethylhypoxanthine (33155-83-8) + N6,7-Dimethyladenine (5444-25-7)

Guidance literature:

With water; for 9.5h; Heating;

DOI:10.1248/cpb.42.382

Reference yield:

methyl iodide (74-88-4) → 1,7-dimethylhypoxanthine (33155-83-8)

Guidance literature:

With potassium hydroxide; at 80 ℃; beim Behandeln des Reaktionsprodukts mit ueberschuessigerJodwasserstoffsaeure und Phosphoniumjodid unter Kuehlung;

Reference yield:

methyl iodide (74-88-4) → 1,7-dimethylhypoxanthine (33155-83-8)

Guidance literature:

With sodium hydroxide; at 75 - 80 ℃;

upstream raw materials:

O-methylcaprolactim

1,7-dihydro-6H-purin-6-one

1,7-dimethyladenine

methyl iodide

Downstream raw materials:

sarcosine

ammonia

methylamine

Refernces

• 1、 Fujii,Saito,Ii,Suzuki. "Purines. LX. Dimroth rearrangement and concomitant hydrolytic deamination of 7-alkyl-1-methyladenines". . p. 382 - 384. Retrieved 2007/10/02.