9-Benzyl-6-methoxy-9H-purine

Base Information

• Chemical Name: 9-Benzyl-6-methoxy-9H-purine
• CAS No.: 6937-62-8
• Molecular Formula: C13H12N4O
• Molecular Weight: 240.264
• NSC Number: 38840
• DSSTox Substance ID: DTXSID80284765
• Nikkaji Number: J2.999.734I
• Wikidata: Q82019873
• ChEMBL ID: CHEMBL7446
• Mol file: 6937-62-8.mol

Synonyms:9-Benzyl-6-methoxy-9H-purine;6937-62-8;NSC38840;CHEMBL7446;DTXSID80284765;NSC-38840

Chemical Property of 9-Benzyl-6-methoxy-9H-purine

Chemical Property:

• Vapor Pressure: 4.34E-08mmHg at 25°C
• Boiling Point: 444.3°Cat760mmHg
• Flash Point: 222.5°C
• Density: 1.28g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 240.10111102
• Heavy Atom Count: 18
• Complexity: 270

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC=NC2=C1N=CN2CC3=CC=CC=C3

Technology Process of 9-Benzyl-6-methoxy-9H-purine

There total 6 articles about 9-Benzyl-6-methoxy-9H-purine 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: 82.0%

methanol (67-56-1) + 9-benzyl-6-chloro-9H-purine (1928-76-3) → 9-benzyl-6-(methoxy)-9H-purine (6937-62-8)

Guidance literature:

With sodium; at 100 ℃; for 0.25h; Microwave irradiation;

DOI:10.1016/j.tetlet.2014.03.084

Reference yield: 69.0%

6-methoxypurine (1074-89-1) + toluene (108-88-3,15644-74-3,16713-13-6) → 9-benzyl-6-(methoxy)-9H-purine (6937-62-8)

Guidance literature:

With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; In water; at 90 ℃; for 12h; Sealed tube;

DOI:10.1021/acs.joc.8b00066

Reference yield: 33.0%

benzyl bromide (100-39-0) + 6-methoxy-1H-purine (1074-89-1) → N7-benzyl-6-methoxypurine (21802-76-6) + 9-benzyl-6-(methoxy)-9H-purine (6937-62-8)

Guidance literature:

With sodium hydride;

DOI:10.1016/j.tetlet.2012.06.055

upstream raw materials:

benzyl bromide

6-methoxy-1H-purine

methanol

9-benzyl-6-chloro-9H-purine

Downstream raw materials:

N₉-benzyl-8-bromo-6-methoxypurine

C₂₅H₂₆N₄O₅

9-benzyl-8-cyclohexyl-6-methoxy-9H-purine

9-benzyl-8-cyclopentyl-6-methoxy-9H-purine