6-Chloro-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)-9H-purine

Base Information

Chemical Name:6-Chloro-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)-9H-purine
CAS No.:105183-02-6
Molecular Formula:C14H10ClF3N4
Molecular Weight:326.708
Hs Code.:
DSSTox Substance ID:DTXSID70561976
Wikidata:Q82445934
Mol file:105183-02-6.mol

Synonyms:105183-02-6;6-chloro-9-(4-methylbenzyl)-2-(trifluoromethyl)-9H-purine;6-Chloro-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)-9H-purine;DTXSID70561976;6-chloro-2-trifluoromethyl-9-(4-methylbenzyl)purine

Suppliers and Price of 6-Chloro-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)-9H-purine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 6-Chloro-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)-9H-purine

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:326.0546085
Heavy Atom Count:22
Complexity:387

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3Cl)C(F)(F)F

Technology Process of 6-Chloro-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)-9H-purine

There total 5 articles about 6-Chloro-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)-9H-purine 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: 54.0%

: 105183-07-1
1,9-dihydro-9-(4-methylbenzyl)-2-(trifluoromethyl)-6H-purin-6-one

: 105183-02-6
6-chloro-9-(4-methylbenzyl)-2-(trifluoromethyl)-9H-purine

Guidance literature:: With thionyl chloride; In chloroform; N,N-dimethyl-formamide; for 4h; Heating;
DOI:10.1021/jm00121a039

Reference yield: 33.0%

: 104-81-4
4-Methylbenzyl bromide

: 1998-63-6
6-chloro-2-(trifluoromethyl)-9H-purine

: 105183-02-6
6-chloro-9-(4-methylbenzyl)-2-(trifluoromethyl)-9H-purine

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; for 1.5h; Ambient temperature;
DOI:10.1021/jo00376a078

Reference yield:

: 104-81-4
4-Methylbenzyl bromide

: 105183-02-6
6-chloro-9-(4-methylbenzyl)-2-(trifluoromethyl)-9H-purine

Guidance literature:: Multi-step reaction with 4 steps

1: 1) NaH / 1) DMF, 6 h, 2) ambient temp., 16 h

2: 42 percent / trifluoroacetic acid / 16 h / Heating

3: 24 percent / NaOMe / dimethylformamide / 24 h / Heating

4: 54 percent / SOCl₂ / CHCl₃; dimethylformamide / 4 h / Heating

With thionyl chloride; sodium methylate; sodium hydride; In chloroform; N,N-dimethyl-formamide; trifluoroacetic acid;
DOI:10.1021/jm00121a039