n,9-Dibenzyl-9h-purin-6-amine

Base Information

• Chemical Name: n,9-Dibenzyl-9h-purin-6-amine
• CAS No.: 4059-09-0
• Molecular Formula: C₁₉H₁₇N₅
• Molecular Weight: 315.377
• NSC Number: 109702
• DSSTox Substance ID: DTXSID90296516
• Wikidata: Q82037152
• ChEMBL ID: CHEMBL1876738
• Mol file: 4059-09-0.mol

Synonyms:n,9-dibenzyl-9h-purin-6-amine;4059-09-0;N,9-dibenzylpurin-6-amine;NSC109702;6-benzylamino-9-benzyl-purine;CHEMBL1876738;SCHEMBL17933852;DTXSID90296516;NSC-109702;NCGC00168530-01

Chemical Property of n,9-Dibenzyl-9h-purin-6-amine

Chemical Property:

• Vapor Pressure: 3.05E-12mmHg at 25°C
• Boiling Point: 552.3°Cat760mmHg
• Flash Point: 287.8°C
• Density: 1.24g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 315.14839556
• Heavy Atom Count: 24
• Complexity: 378

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)CC4=CC=CC=C4

Technology Process of n,9-Dibenzyl-9h-purin-6-amine

There total 3 articles about n,9-Dibenzyl-9h-purin-6-amine 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:

benzyl bromide (100-39-0) + 6-benzyladenine (1214-39-7) → benzyl-(3-benzyl-3H-purin-6-yl)-amine (4166-31-8) + benzyl-(9-benzyl-9H-purin-6-yl)-amine (4059-09-0)

Guidance literature:

polymerically bound hexyltributylphosphonium bromide; In sodium hydroxide; benzene; at 40 ℃; for 0.166667h; Yield given. Yields of byproduct given;

DOI:10.1007/BF00515011

Reference yield:

benzyl bromide (100-39-0) + 6-benzyladenine (1214-39-7) → N6,7-dibenzyladenine (4059-08-9) + benzyl-(3-benzyl-3H-purin-6-yl)-amine (4166-31-8) + benzyl-(9-benzyl-9H-purin-6-yl)-amine (4059-09-0)

Guidance literature:

With sodium hydroxide; (C₈H₁₇)4NBr; In dichloromethane; at 20 ℃; for 0.0833333h; Product distribution; other catalyst (e.g. 18-crown-6); other solvents (benzene); other bases (KOH); other temp.;

DOI:10.1007/BF00475484

Reference yield:

benzyl bromide (100-39-0) + 6-benzyladenine (1214-39-7) → N6,7-dibenzyladenine (4059-08-9) + benzyl-(9-benzyl-9H-purin-6-yl)-amine (4059-09-0)

Guidance literature:

With potassium hydroxide; 18-crown-6 ether; In benzene; at 60 ℃; for 1h; Product distribution; Influence of catalysts on yields of products.;

DOI:10.1007/BF00515011

upstream raw materials:

benzyl bromide

6-benzyladenine

Downstream raw materials:

C₂₃H₁₈ClN₅O₂

Refernces

• 1、 Ramzaeva, N. P.,Goncharova, I. N.,Lidak, M. Yu.,Gol'dberg, Yu. Sh.,Shimanskaya, M. V.. "ALKYLATION OF 6-SUBSTITUTED PURINES IN CONDITIONS OF INTERPHASE CATALYSIS". . p. 346 - 347. Retrieved 2007/10/02.