2-Amino-4-methoxy-N-(8-phenethyl-3-beta-nortropanyl)-5-pyrimidinecarboxamide

Base Information

Chemical Name:2-Amino-4-methoxy-N-(8-phenethyl-3-beta-nortropanyl)-5-pyrimidinecarboxamide
CAS No.:91595-96-9
Molecular Formula:C₂₁H₂₇N₅O₂
Molecular Weight:381.478
Hs Code.:
DSSTox Substance ID:DTXSID50919638
Wikidata:Q76423164

Synonyms:BRN 5631280;2-Amino-4-methoxy-N-(8-phenethyl-3-beta-nortropanyl)-5-pyrimidinecarboxamide;91595-96-9;5-Pyrimidinecarboxamide, 2-amino-4-methoxy-N-(8-phenethyl-3-beta-nortropanyl)-;DTXSID50919638;2-Imino-4-methoxy-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,2-dihydropyrimidine-5-carboximidic acid

Suppliers and Price of 2-Amino-4-methoxy-N-(8-phenethyl-3-beta-nortropanyl)-5-pyrimidinecarboxamide

Supply Marketing:

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

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Chemical Property of 2-Amino-4-methoxy-N-(8-phenethyl-3-beta-nortropanyl)-5-pyrimidinecarboxamide

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:381.21647512
Heavy Atom Count:28
Complexity:513

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=NC(=NC=C1C(=O)NC2CC3CCC(C2)N3CCC4=CC=CC=C4)N
Isomeric SMILES:COC1=NC(=NC=C1C(=O)NC2C[C@H]3CC[C@@H](C2)N3CCC4=CC=CC=C4)N

Technology Process of 2-Amino-4-methoxy-N-(8-phenethyl-3-beta-nortropanyl)-5-pyrimidinecarboxamide

There total 6 articles about 2-Amino-4-methoxy-N-(8-phenethyl-3-beta-nortropanyl)-5-pyrimidinecarboxamide 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: 80.0%

: 622-24-2
2-phenylethyl chloride

: 76352-25-5
2-amino-4-methoxy-N-(8-azabicyclo<3,2,1>oct-3 β-yl)-5-pyrimidine carboxamide

: 91595-96-9
2-Amino-4-methoxy-pyrimidine-5-carboxylic acid ((1R,3S,5S)-8-phenethyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide

Guidance literature:: With potassium carbonate; In acetone; for 36h; Heating;

Reference yield:

: 542-05-2
acetonedicarboxylic acid

: 91595-96-9
2-Amino-4-methoxy-pyrimidine-5-carboxylic acid ((1R,3S,5S)-8-phenethyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide

Guidance literature:: Multi-step reaction with 6 steps

2: NH₂OH*HCl / 0.67 h

3: 80 percent / Na / pentan-1-ol / 80 °C / Heating

4: 1.) NEt₃, ethylchloroformate / 1.) DMF, 2 deg C, 0.5 h; 2.) DMF, 12 h, RT

5: 93 percent / maleic acid, H₂ / 10percent Pd/C / aq. ethanol / 7 h / Ambient temperature

6: 80 percent / K₂CO₃ / acetone / 36 h / Heating

With hydroxylamine hydrochloride; hydrogen; sodium; chloroformic acid ethyl ester; potassium carbonate; triethylamine; maleic acid; palladium on activated charcoal; In ethanol; pentan-1-ol; acetone;

Reference yield:

: 532-24-1
tropinone

: 91595-96-9
2-Amino-4-methoxy-pyrimidine-5-carboxylic acid ((1R,3S,5S)-8-phenethyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide

Guidance literature:: Multi-step reaction with 5 steps

1: NH₂OH*HCl / 0.67 h

2: 80 percent / Na / pentan-1-ol / 80 °C / Heating

3: 1.) NEt₃, ethylchloroformate / 1.) DMF, 2 deg C, 0.5 h; 2.) DMF, 12 h, RT

4: 93 percent / maleic acid, H₂ / 10percent Pd/C / aq. ethanol / 7 h / Ambient temperature

5: 80 percent / K₂CO₃ / acetone / 36 h / Heating

With hydroxylamine hydrochloride; hydrogen; sodium; chloroformic acid ethyl ester; potassium carbonate; triethylamine; maleic acid; palladium on activated charcoal; In ethanol; pentan-1-ol; acetone;