9H-Purine, 6-chloro-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)-

Base Information

• Chemical Name: 9H-Purine, 6-chloro-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)-
• CAS No.: 122488-70-4
• Molecular Formula: C13H7ClF4N4
• Molecular Weight: 330.672
• DSSTox Substance ID: DTXSID60435470
• Wikidata: Q82250437
• Mol file: 122488-70-4.mol

Synonyms:122488-70-4;9H-Purine, 6-chloro-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)-;6-chloro-9-(2-fluorobenzyl)-2-(trifluoromethyl)-9H-purine;SCHEMBL3138769;DTXSID60435470;6-chloro-9-(2-fluorobenzyl)-2-trifluoromethylpurine;6-chloro-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)-9H-purine

Chemical Property of 9H-Purine, 6-chloro-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)-

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 330.0295366
• Heavy Atom Count: 22
• Complexity: 397

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)C(F)(F)F)F

Technology Process of 9H-Purine, 6-chloro-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)-

There total 6 articles about 9H-Purine, 6-chloro-9-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)- 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: 61.0%

6-chloro-2-(trifluoromethyl)-9H-purine (1998-63-6) → 6-chloro-9-(2-fluorobenzyl)-2-(trifluoromethyl)purine (122488-70-4) + 6-chloro-7-(2-fluorobenzyl)-2-(trifluoromethyl)purine

Guidance literature:

DOI:10.1021/jm00128a016

Reference yield:

o-fluorobenzyl bromide (446-48-0) + 6-chloro-2-(trifluoromethyl)-9H-purine (1998-63-6) → 6-chloro-9-(2-fluorobenzyl)-2-(trifluoromethyl)purine (122488-70-4)

Guidance literature:

With potassium carbonate; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; N,N-dimethyl-formamide;

Reference yield:

6-chloro-2-(trifluoromethyl)-9H-purine (1998-63-6) → 6-chloro-9-(2-fluorobenzyl)-2-(trifluoromethyl)purine (122488-70-4)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide;

DOI:10.1021/jm960827x

upstream raw materials:

6-chloro-2-(trifluoromethyl)-9H-purine

2-trifluoromethyl-1,7-dihydro-purin-6-one

1,9-dihydro-2-(trifluoromethyl)-6H-purin-6-one

o-fluorobenzyl bromide

Downstream raw materials:

NCS 613

6-(cyclopropylamino)-9-(2-fluorobenzyl)-2-(trifluoromethyl)purine

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