9H-Purine-9-propanenitrile, 6-[[(3,4-dimethoxyphenyl)methoxy]amino]-

Base Information

Chemical Name:9H-Purine-9-propanenitrile, 6-[[(3,4-dimethoxyphenyl)methoxy]amino]-
CAS No.:827585-22-8
Molecular Formula:C17H18N6O3
Molecular Weight:354.368
Hs Code.:
DSSTox Substance ID:DTXSID00467078
Wikidata:Q82293859

Synonyms:827585-22-8;3-(6-(((3,4-Dimethoxybenzyl)oxy)amino)-9H-purin-9-yl)propanenitrile;3-(6-{[(3,4-dimethoxyphenyl)methoxy]amino}-9H-purin-9-yl)propanenitrile;9H-Purine-9-propanenitrile, 6-[[(3,4-dimethoxyphenyl)methoxy]amino]-;DTXSID00467078

Suppliers and Price of 9H-Purine-9-propanenitrile, 6-[[(3,4-dimethoxyphenyl)methoxy]amino]-

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 1 raw suppliers

Chemical Property of 9H-Purine-9-propanenitrile, 6-[[(3,4-dimethoxyphenyl)methoxy]amino]-

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:354.14403846
Heavy Atom Count:26
Complexity:486

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)CONC2=C3C(=NC=N2)N(C=N3)CCC#N)OC

Technology Process of 9H-Purine-9-propanenitrile, 6-[[(3,4-dimethoxyphenyl)methoxy]amino]-

There total 2 articles about 9H-Purine-9-propanenitrile, 6-[[(3,4-dimethoxyphenyl)methoxy]amino]- 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: 59.0%

: 6053-96-9
O-3,4-dimethyloxybenzyl-hydroxylamine

: 4244-40-0
3-(6-chloro-9H-purin-9-yl)propanenitrile

: 827585-22-8
3-{6-[(Z)-3,4-Dimethoxy-benzyloxyimino]-1,6-dihydro-purin-9-yl}-propionitrile

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In ethanol; for 24h; Heating;
DOI:10.1021/jo048622g

Reference yield:

: 87-42-3
6-chloropurine

: 827585-22-8
3-{6-[(Z)-3,4-Dimethoxy-benzyloxyimino]-1,6-dihydro-purin-9-yl}-propionitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent / K₂CO₃ / 70 h / 20 °C

2: 59 percent / diisopropylethylamine / ethanol / 24 h / Heating

With potassium carbonate; N-ethyl-N,N-diisopropylamine; In ethanol; 1: Michael addition;
DOI:10.1021/jo048622g