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

Base Information

• Chemical Name: 9H-Purin-6-amine, 9-((3-aminophenyl)methyl)-N,N-dimethyl-
• CAS No.: 115204-50-7
• Molecular Formula: C14H16 N6
• Molecular Weight: 268.321
• DSSTox Substance ID: DTXSID70150985
• Nikkaji Number: J271.654B
• Wikidata: Q83017350
• ChEMBL ID: CHEMBL7344
• Mol file: 115204-50-7.mol

Synonyms:115204-50-7;9-(3-Aminobenzyl)-N,N-dimethyl-9H-purin-6-amine;9H-Purin-6-amine, 9-((3-aminophenyl)methyl)-N,N-dimethyl-;9H-Purin-6-amine, 9-[(3-aminophenyl)methyl]-N,N-dimethyl-;CHEMBL7344;DTXSID70150985;6-Dimethylamino-9-(3-aminobenzyl)-9H-purine;9-[(3-aminophenyl)methyl]-N,N-dimethyl-purin-6-amine;9-[(3-AMINOPHENYL)METHYL]-N,N-DIMETHYL-9H-PURIN-6-AMINE

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

Chemical Property:

• Vapor Pressure: 5.47E-11mmHg at 25°C
• Boiling Point: 521.9°Cat760mmHg
• Flash Point: 269.4°C
• Density: 1.32g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 268.14364454
• Heavy Atom Count: 20
• Complexity: 323

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)N

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

There total 4 articles about 9H-Purin-6-amine, 9-((3-aminophenyl)methyl)-N,N-dimethyl- 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: 94.0%

6-dimethylamino-9-(3-nitrobenzyl)-9H-purine (7008-56-2) → 9-(3-aminobenzyl)-6-dimethylamino-9H-purine (115204-50-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetic acid; for 1.5h; under 1520 - 2280 Torr;

DOI:10.1016/0223-5234(88)90202-4

Reference yield:

6-chloro-9-(3-nitrobenzyl)-9H-purine (6952-15-4) → 9-(3-aminobenzyl)-6-dimethylamino-9H-purine (115204-50-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / ethanol; H₂O / 17 h / Ambient temperature

2: 94 percent / H₂ / 10percent Pd/C / acetic acid / 1.5 h / 1520 - 2280 Torr

With hydrogen; palladium on activated charcoal; In ethanol; water; acetic acid;

DOI:10.1016/0223-5234(88)90202-4

Reference yield:

6-chloropurine (87-42-3) → 9-(3-aminobenzyl)-6-dimethylamino-9H-purine (115204-50-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 70 percent / K₂CO₃ / dimethylformamide / 64 h / Ambient temperature

2: 99 percent / ethanol; H₂O / 17 h / Ambient temperature

3: 94 percent / H₂ / 10percent Pd/C / acetic acid / 1.5 h / 1520 - 2280 Torr

With hydrogen; potassium carbonate; palladium on activated charcoal; In ethanol; water; acetic acid; N,N-dimethyl-formamide;

DOI:10.1016/0223-5234(88)90202-4

upstream raw materials:

6-dimethylamino-9-(3-nitrobenzyl)-9H-purine

6-chloro-9-(3-nitrobenzyl)-9H-purine

6-chloropurine

3-Nitrobenzyl chloride

Downstream raw materials:

9-(3-N-carbobenzoxyphenylalanylamidobenzyl)-6-dimethylamino-9H-purine

6-dimethylamino-9-(3-phenylalanylamidobenzyl)-9H-purine dihydrochloride

Refernces