9H-Purin-2-amine, 6-(phenylmethoxy)-9-(phenylmethyl)-

Base Information

• Chemical Name: 9H-Purin-2-amine, 6-(phenylmethoxy)-9-(phenylmethyl)-
• CAS No.: 156422-39-8
• Molecular Formula: C19H17N5O
• Molecular Weight: 331.377
• DSSTox Substance ID: DTXSID90471200
• Nikkaji Number: J1.312.727A
• Wikidata: Q82299652
• Mol file: 156422-39-8.mol

Synonyms:156422-39-8;9-Benzyl-6-(benzyloxy)-9H-purin-2-amine;9H-Purin-2-amine, 6-(phenylmethoxy)-9-(phenylmethyl)-;DTXSID90471200

Chemical Property of 9H-Purin-2-amine, 6-(phenylmethoxy)-9-(phenylmethyl)-

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 331.14331018
• Heavy Atom Count: 25
• Complexity: 411

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N

Technology Process of 9H-Purin-2-amine, 6-(phenylmethoxy)-9-(phenylmethyl)-

There total 4 articles about 9H-Purin-2-amine, 6-(phenylmethoxy)-9-(phenylmethyl)- 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: 64.0%

2-amino-9-benzyl-6-chloro-9H-purine (6336-42-1) + benzyl alcohol (100-51-6,185532-71-2) → 9-Benzyl-6-benzyloxy-9H-purin-2-ylamine (156422-39-8)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; potassium carbonate; at 75 - 80 ℃; for 2h;

DOI:10.1039/c39940000913

Reference yield: 56.0%

benzyl bromide (100-39-0) + 2-Amino-6-benzyloxypurine (19916-73-5) → 9-Benzyl-6-benzyloxy-9H-purin-2-ylamine (156422-39-8) + O6,7-Dibenzylguanine

Guidance literature:

With polymeric BEMP; In acetonitrile; at 20 ℃;

DOI:10.1016/S0040-4039(00)00466-4

Reference yield:

benzyl bromide (100-39-0) → 9-Benzyl-6-benzyloxy-9H-purin-2-ylamine (156422-39-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / cesium carbonate / dimethylformamide / 1 h / Ambient temperature

2: 64 percent / 1,4-diazabicyclo<2.2.2>octane, potassium carbonate / 2 h / 75 - 80 °C

With 1,4-diaza-bicyclo[2.2.2]octane; potassium carbonate; caesium carbonate; In N,N-dimethyl-formamide;

DOI:10.1039/c39940000913

upstream raw materials:

2-amino-9-benzyl-6-chloro-9H-purine

benzyl alcohol

benzyl bromide

2-Amino-6-benzyloxypurine

Downstream raw materials:

2-amino-6-benzyloxy-8-bromo-9-benzylpurine

2-amino-6-benzyloxy-8-cyano-9-benzylpurine