N~6~-Cyclohexyl-N~2~-(4-methoxyphenyl)-7H-purine-2,6-diamine

Base Information

Chemical Name:N~6~-Cyclohexyl-N~2~-(4-methoxyphenyl)-7H-purine-2,6-diamine
CAS No.:789488-36-4
Molecular Formula:C₁₈H₂₂N₆O
Molecular Weight:338.412
Hs Code.:
DSSTox Substance ID:DTXSID80703800
Wikidata:Q82636056

Synonyms:789488-36-4;N6-Cyclohexyl-N2-(4-methoxyphenyl)-9H-purine-2,6-diamine;DTXSID80703800;N~6~-Cyclohexyl-N~2~-(4-methoxyphenyl)-7H-purine-2,6-diamine

Suppliers and Price of N~6~-Cyclohexyl-N~2~-(4-methoxyphenyl)-7H-purine-2,6-diamine

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 N~6~-Cyclohexyl-N~2~-(4-methoxyphenyl)-7H-purine-2,6-diamine

Chemical Property:

XLogP3:4.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:338.18550935
Heavy Atom Count:25
Complexity:410

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC=C(C=C1)NC2=NC3=C(C(=N2)NC4CCCCC4)NC=N3

Technology Process of N~6~-Cyclohexyl-N~2~-(4-methoxyphenyl)-7H-purine-2,6-diamine

There total 3 articles about N~6~-Cyclohexyl-N~2~-(4-methoxyphenyl)-7H-purine-2,6-diamine 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: 93.0%

: 39639-45-7
(2-chloro-9H-purin-6-yl)-cyclohexyl-amine

: 104-94-9
4-methoxy-aniline

: 789488-36-4
N⁽⁶⁾-cyclohexyl-N⁽²⁾-(4-methoxyphenyl)-9H-purine-2, 6-diamine

Guidance literature:: With chloro-trimethyl-silane; In butan-1-ol; at 120 ℃; for 14h;
DOI:10.3998/ark.5550190.0012.605

Reference yield:

: 108-91-8,157973-60-9
cyclohexylamine

: 5451-40-1
2,6 dichloropurine

: 789488-36-4
N⁽⁶⁾-cyclohexyl-N⁽²⁾-(4-methoxyphenyl)-9H-purine-2, 6-diamine

Guidance literature:: Multi-step reaction with 2 steps

1.1: N-ethyl-N,N-diisopropylamine / butan-1-ol / 0.42 h / 75 °C / Inert atmosphere

1.2: 7 h / 75 - 77 °C / Inert atmosphere

2.1: butan-1-ol / 20 °C / Inert atmosphere

2.2: 10.83 h / 17 - 117 °C / Inert atmosphere

With N-ethyl-N,N-diisopropylamine; In butan-1-ol;
DOI:10.1021/op060053m

Reference yield:

: 108-91-8,157973-60-9
cyclohexylamine

: 789488-36-4
N⁽⁶⁾-cyclohexyl-N⁽²⁾-(4-methoxyphenyl)-9H-purine-2, 6-diamine

Guidance literature:: Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / pentan-1-ol / 4 h / 70 °C / Inert atmosphere

2: chloro-trimethyl-silane / butan-1-ol / 14 h / 120 °C

With chloro-trimethyl-silane; N-ethyl-N,N-diisopropylamine; In pentan-1-ol; butan-1-ol;
DOI:10.3998/ark.5550190.0012.605