Phenol, 4-[(1H-purin-6-ylamino)methyl]-

Base Information

• Chemical Name: Phenol, 4-[(1H-purin-6-ylamino)methyl]-
• CAS No.: 80054-30-4
• Molecular Formula: C₁₂H₁₁N₅O
• Molecular Weight: 241.252
• DSSTox Substance ID: DTXSID60433416
• Nikkaji Number: J2.181.315J
• Mol file: 80054-30-4.mol

Synonyms:80054-30-4;Phenol, 4-[(1H-purin-6-ylamino)methyl]-;4-[(7H-purin-6-ylamino)methyl]phenol;4-(((9H-Purin-6-yl)amino)methyl)phenol;n6-(4-hydroxybenzyl) adenine;SCHEMBL1443427;DTXSID60433416;6-(4-hydroxybenzylamino)-9h-purine

Chemical Property of Phenol, 4-[(1H-purin-6-ylamino)methyl]-

Chemical Property:

• Melting Point: 265 - 268oC
• PSA: 86.72000
• LogP: 1.74360
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 241.09635999
• Heavy Atom Count: 18
• Complexity: 269

Purity/Quality:

98% ^*data from raw suppliers

para-Topolin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CNC2=NC=NC3=C2NC=N3)O
• Uses: para-Topolin can be used for biological study for evaluation of antioxidant activity and capacity of some natural N6-substituted adenine derivatives (cytokinins) by fluorimetric and spectrophotometric assays.

Technology Process of Phenol, 4-[(1H-purin-6-ylamino)methyl]-

There total 1 articles about Phenol, 4-[(1H-purin-6-ylamino)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:

→ 6-(4-hydroxybenzylamino)purine (80054-30-4)

Guidance literature:

With triethylamine; In butan-1-ol; at 90 ℃; for 4h;

Reference yield:

6-(4-hydroxybenzylamino)purine (80054-30-4) + 7-methylguanosine (22164-16-5) → T1-11 (110505-75-4)

Guidance literature:

With dipotassium hydrogenphosphate; purine nucleotide phosphorylase; In ethanol; water; at 35 ℃; Enzymatic reaction;

DOI:10.1002/jlcr.3702

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + potassium hexachloropalatinate(IV) + 6-(4-hydroxybenzylamino)purine (80054-30-4) → [Pt(6-(4-hydroxybenzylamino)purine(+H))Cl5]

Guidance literature:

In hydrogenchloride; K2PtCl6 dissolved in aq. HCl; added to equimolar organic ligand in aq. HCl; stirred under reflux for 2 h; filtered off; washed with water; dried in air; elem. anal.;

DOI:10.1016/j.poly.2007.07.026

Downstream raw materials:

T1-11

Refernces