9H-Purin-6-amine, N,N-dimethyl-9-((3-(phenylmethoxy)phenyl)methyl)-

Base Information

• Chemical Name: 9H-Purin-6-amine, N,N-dimethyl-9-((3-(phenylmethoxy)phenyl)methyl)-
• CAS No.: 112089-22-2
• Molecular Formula: C21H21 N5 O
• Molecular Weight: 359.4243
• DSSTox Substance ID: DTXSID70149879
• Wikidata: Q83015758
• ChEMBL ID: CHEMBL60320
• Mol file: 112089-22-2.mol

Synonyms:112089-22-2;9H-Purin-6-amine, N,N-dimethyl-9-((3-(phenylmethoxy)phenyl)methyl)-;9-(3-(Benzyloxy)benzyl)-N,N-dimethyl-9H-purin-6-amine;9H-Purin-6-amine, N,N-dimethyl-9-[[3-(phenylmethoxy)phenyl]methyl]-;CHEMBL60320;DTXSID70149879;9-[(3-benzyloxyphenyl)methyl]-N,N-dimethyl-purin-6-amine;9-{[3-(benzyloxy)phenyl]methyl}-N,N-dimethyl-9H-purin-6-amine

Chemical Property of 9H-Purin-6-amine, N,N-dimethyl-9-((3-(phenylmethoxy)phenyl)methyl)-

Chemical Property:

• Vapor Pressure: 2.99E-13mmHg at 25°C
• Boiling Point: 575.6°Cat760mmHg
• Flash Point: 301.9°C
• Density: 1.21g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 359.17461031
• Heavy Atom Count: 27
• Complexity: 456

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=NC=NC2=C1N=CN2CC3=CC(=CC=C3)OCC4=CC=CC=C4

Technology Process of 9H-Purin-6-amine, N,N-dimethyl-9-((3-(phenylmethoxy)phenyl)methyl)-

There total 5 articles about 9H-Purin-6-amine, N,N-dimethyl-9-((3-(phenylmethoxy)phenyl)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: 68.0%

dimethyl amine (124-40-3) + 9-<3-(benzyloxy)benzyl>-6-chloro-9H-purine (112088-90-1) → [9-(3-Benzyloxy-benzyl)-9H-purin-6-yl]-dimethyl-amine (112089-22-2)

Guidance literature:

In ethanol; water; for 15h; Ambient temperature;

DOI:10.1021/jm00398a019

Reference yield:

1-benzyloxy-3-chloromethylbenzene (24033-03-2) → [9-(3-Benzyloxy-benzyl)-9H-purin-6-yl]-dimethyl-amine (112089-22-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 41 percent / K₂CO₃ / dimethylformamide / 16 h / Ambient temperature

2: 68 percent / ethanol; H₂O / 15 h / Ambient temperature

With potassium carbonate; In ethanol; water; N,N-dimethyl-formamide;

DOI:10.1021/jm00398a019

Reference yield:

3-Hydroxybenzyl alcohol (620-24-6) → [9-(3-Benzyloxy-benzyl)-9H-purin-6-yl]-dimethyl-amine (112089-22-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 85 percent / benzyltrimethylammonium hydroxide, K₂CO₃ / methanol; dimethylformamide / 18 h / 70 °C

2: SOCl₂ / CH₂Cl₂ / 0.5 h

3: 41 percent / K₂CO₃ / dimethylformamide / 16 h / Ambient temperature

4: 68 percent / ethanol; H₂O / 15 h / Ambient temperature

With thionyl chloride; N-benzyl-trimethylammonium hydroxide; potassium carbonate; In methanol; ethanol; dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1021/jm00398a019

upstream raw materials:

dimethyl amine

9-<3-(benzyloxy)benzyl>-6-chloro-9H-purine

1-benzyloxy-3-chloromethylbenzene

3-Hydroxybenzyl alcohol

Downstream raw materials:

6-(dimethylamino)-9-(3-hydroxybenzyl)-9H-purine hydrobromide