Phenol, 2-[(1H-purin-6-ylamino)methyl]-

Base Information

• Chemical Name: Phenol, 2-[(1H-purin-6-ylamino)methyl]-
• CAS No.: 20366-83-0
• Molecular Formula: C12H11N5O
• Molecular Weight: 241.252
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30468210
• Nikkaji Number: J751.670C
• Wikidata: Q72483334
• Mol file: 20366-83-0.mol

Synonyms:20366-83-0;2-(((9H-Purin-6-yl)amino)methyl)phenol;Phenol, 2-[(1H-purin-6-ylamino)methyl]-;2-[(7H-purin-6-ylamino)methyl]phenol;Phenol, 2-[(9H-purin-6-ylamino)methyl]-;ORTHO-TOPOLIN;6-(2-hydroxybenzylamino)purine;ortho-TOPOLIN(oT);SCHEMBL786293;DTXSID30468210;MFCD18641954;AS-78019;CS-0162993;D81466

Chemical Property of Phenol, 2-[(1H-purin-6-ylamino)methyl]-

Chemical Property:

• Melting Point: 286-288℃
• PSA: 86.72000
• LogP: 1.74360
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: Aqueous Base (Slightly), DMSO (Sparingly)
• 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: 277

Purity/Quality:

97% ^*data from raw suppliers

ortho-Topolin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CNC2=NC=NC3=C2NC=N3)O
• Uses: ortho-Topolin can be used in biological study of dissecting role of two cytokinin analogs (INCYDE and PI-55) on in vitro organogenesis, phytohormone accumulation, phytochemical content and antioxidant activity

Technology Process of Phenol, 2-[(1H-purin-6-ylamino)methyl]-

There total 3 articles about Phenol, 2-[(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:

2-Hydroxybenzylamine (932-30-9) + 6-(methylthio)-1H-purine (50-66-8) → 6-(2-hydroxybenzylamino)purine (20366-83-0)

Guidance literature:

DOI:10.1246/bcsj.32.886

Reference yield:

→ o-topolin (20366-83-0)

Guidance literature:

Benzaldoxim-O-acetat VI, PdO/T2;

Reference yield:

→ 6-(2-hydroxybenzylamino)purine (20366-83-0)

Guidance literature:

Aus 6-Aminopurin, o-Hydroxybenzylamin/HCl;

upstream raw materials:

2-Hydroxybenzylamine

6-(methylthio)-1H-purine

Downstream raw materials:

6-(2-hydroxybenzyl)adenosine