9-Methylpurine

Base Information

• Chemical Name: 9-Methylpurine
• CAS No.: 20427-22-9
• Molecular Formula: C6H6N4
• Molecular Weight: 134.14
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60174372
• Nikkaji Number: J830.097F
• Wikidata: Q27132373
• Metabolomics Workbench ID: 62594
• Mol file: 20427-22-9.mol

Synonyms:9-methylpurine;9-methyl-9H-purine;20427-22-9;N(9)-methylpurine;9H-Purine, 9-methyl-;9H-Purine, 9-methyl- (6CI,7CI,8CI,9CI);CHEBI:63091;9H-purine, 9-methyl;Epitope ID:167474;SCHEMBL256372;DTXSID60174372;AKOS006274194;Q27132373

Chemical Property of 9-Methylpurine

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

9-methyl-9H-Purine 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 9-Methylpurine

There total 17 articles about 9-Methylpurine 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: 37.0%

Dimethyl oxalate (553-90-2) + purine (120-73-0,149297-77-8,51953-03-8) → 9-methylpurine (20427-22-9)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; for 1h; Heating;

DOI:10.1016/S0040-4020(01)87933-3

Reference yield: 30.0%

1-amino-9-methylpurinium mesitylenesulfonate → 9-methylpurine (20427-22-9)

Guidance literature:

With ammonia; In methanol; at 20 ℃; for 0.02h; Product distribution; Mechanism; no ANRORC mechanism determined by reaction with 15N labelled ammonia; var. temp. and time;

DOI:10.1016/S0040-4020(01)87667-5

upstream raw materials:

5-formamido-4-(methylamino)pyrimidine

diazomethane

purine

dimethyl sulfate

Downstream raw materials:

5-amino-4-methylaminopyrimidine

9-methyl-8-phenyl-9H-purine

5-formamido-4-(methylamino)pyrimidine

trans-[(amine)2(platinum(II))(μ-9-methylpurine-N7)Cl] perchlorate

Refernces

• 1、 Kos, N. J.,Jongejan, H.,van der Plas, H. C.. "DEAMINATION, INVOLVING RING OPENING, IN REACTIONS OF 1-AMINOPURINIUM MESITYLENESULFONATES WITH METHANOLIC AMMONIA". . p. 4841 - 4848. Retrieved 2007/10/02.
• 2、 Arpalahti, Jorma,Loennberg, Harri. "An Alternative Method for Preparing 7- and 9-Methylpurines". . p. 545 - 546. Retrieved 2007/10/02.