7H-Purine, 7-methyl-

Base Information

• Chemical Name: 7H-Purine, 7-methyl-
• CAS No.: 18346-04-8
• Molecular Formula: C6H6 N4
• Molecular Weight: 134.14
• NSC Number: 99400
• DSSTox Substance ID: DTXSID40171425
• Nikkaji Number: J830.096H
• Wikidata: Q83041505
• Mol file: 18346-04-8.mol

Synonyms:7-methylpurine;7H-Purine, 7-methyl-;18346-04-8;7-methyl-7H-purine;7H-Purine, 7-methyl- (9CI);NSC99400;7H-Purine,7-methyl-;SCHEMBL145694;DTXSID40171425;NSC 99400;NSC-99400

Chemical Property of 7H-Purine, 7-methyl-

Chemical Property:

• Vapor Pressure: 0.00303mmHg at 25°C
• Boiling Point: 284.2°Cat760mmHg
• Flash Point: 125.7°C
• PSA: 43.60000
• Density: 1.39g/cm³
• LogP: 0.36330
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 134.059246208
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

7-methyl-7H-Purine 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC2=NC=NC=C21

Technology Process of 7H-Purine, 7-methyl-

There total 8 articles about 7H-Purine, 7-methyl- 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: 45.0%

purine (120-73-0,149297-77-8,51953-03-8) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → 7-methylpurine (18346-04-8) + 9-methylpurine (20427-22-9)

Guidance literature:

In toluene; for 6h; Heating;

Reference yield: 24.0%

purine (120-73-0,149297-77-8,51953-03-8) + tetramethyl ammoniumhydroxide (75-59-2,104422-11-9,123626-97-1,154636-59-6,195460-17-4,78017-87-5,93615-68-0,129654-61-1) → 7-methylpurine (18346-04-8) + 9-methylpurine (20427-22-9)

Guidance literature:

DOI:10.1021/jo00337a037

Reference yield: 21.0%

orthoformic acid triethyl ester (122-51-0) + 5-Aminomethyl-1-methyl-1H-imidazol-4-ylamine → 7-methylpurine (18346-04-8)

Guidance literature:

In ethanol; for 6h; Heating;

upstream raw materials:

2,6-dichloro-7-methylpurine

purine

tetramethyl ammoniumhydroxide

N,N-dimethyl-formamide dimethyl acetal

Downstream raw materials:

7,8-dimethyl-7H-purine

N⁵-methyl-pyrimidine-4,5-diamine