2-fluoro-N-[(4-nitrophenyl)methyl]-7H-purin-6-amine

Base Information

Chemical Name:2-fluoro-N-[(4-nitrophenyl)methyl]-7H-purin-6-amine
CAS No.:188644-29-3
Molecular Formula:C12H9FN6O2
Molecular Weight:288.241
Hs Code.:
DSSTox Substance ID:DTXSID10571650
Wikidata:Q82459807

Synonyms:188644-29-3;2-fluoro-N-[(4-nitrophenyl)methyl]-7H-purin-6-amine;DTXSID10571650

Suppliers and Price of 2-fluoro-N-[(4-nitrophenyl)methyl]-7H-purin-6-amine

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 4 raw suppliers

Chemical Property of 2-fluoro-N-[(4-nitrophenyl)methyl]-7H-purin-6-amine

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:288.07710171
Heavy Atom Count:21
Complexity:373

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CNC2=NC(=NC3=C2NC=N3)F)[N+](=O)[O-]

Technology Process of 2-fluoro-N-[(4-nitrophenyl)methyl]-7H-purin-6-amine

There total 2 articles about 2-fluoro-N-[(4-nitrophenyl)methyl]-7H-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: 90.0%

: 18600-42-5
4-nitrobenzylamine hydrochloride

: 1651-29-2
6-chloro-2-fluoropurine

: 188644-29-3
2-fluoro-N-(4-nitrobenzyl)-9H-purin-6-amine

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In butan-1-ol; 50 deg C, 12 h, 90 deg C, 12 h;
DOI:10.1016/S0040-4039(97)00014-2

Reference yield:

: 10310-21-1
2-Amino-6-chloropurin

: 188644-29-3
2-fluoro-N-(4-nitrobenzyl)-9H-purin-6-amine

Guidance literature:: Multi-step reaction with 2 steps

1: 61 percent / NaNO₂ / H₂O; various solvent(s) / -15 deg C, 75 min, r.t., 20 min

2: 90 percent / diisopropylethylamine / butan-1-ol / 50 deg C, 12 h, 90 deg C, 12 h

With N-ethyl-N,N-diisopropylamine; sodium nitrite; In water; butan-1-ol;
DOI:10.1016/S0040-4039(97)00014-2

Reference yield: 81.0%

: 188644-29-3
2-fluoro-N-(4-nitrobenzyl)-9H-purin-6-amine

: 188644-31-7
2-fluoro-6-(4-aminobenzylamino)purine

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethyl acetate; for 0.5h; under 760 Torr;
DOI:10.1016/S0040-4039(97)00014-2