(6aR,9aS)-2-Propyl-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylmethyl)cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one

Base Information

Chemical Name:(6aR,9aS)-2-Propyl-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylmethyl)cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one
CAS No.:191982-12-4
Molecular Formula:C₂₁H₂₅N₅O
Molecular Weight:363.462
Hs Code.:
DSSTox Substance ID:DTXSID201107984
Pharos Ligand ID:M3MK256ZUQNG
ChEMBL ID:CHEMBL307379

Synonyms:CHEMBL307379;DTXSID201107984;BDBM50059058;(6aR,9aS)-2-Propyl-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylmethyl)cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one;(6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-5-methyl-3-(phenylmethyl)-2-propylcyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one;191982-12-4

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Supply Marketing:

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

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Chemical Property of (6aR,9aS)-2-Propyl-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylmethyl)cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:363.20591044
Heavy Atom Count:27
Complexity:616

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C4=NC5CCCC5N24)C
Isomeric SMILES:CCCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C4=N[C@@H]5CCC[C@@H]5N24)C

Technology Process of (6aR,9aS)-2-Propyl-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylmethyl)cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one

There total 5 articles about (6aR,9aS)-2-Propyl-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylmethyl)cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one 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:

: 1027933-27-2
7-Benzyl-2-((1R,2R)-2-hydroxy-cyclopentylamino)-1-methyl-8-propyl-1,7-dihydro-purin-6-one

: 191982-12-4
(6aR,9aS)-2-propyl-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylmethyl)cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one

Guidance literature:: With thionyl chloride; In dichloromethane; for 3h; Ambient temperature;
DOI:10.1021/jm9608467

Reference yield:

: 2034-31-3
6-amino-5-(benzylamino)-3-methylpyrimidine-2,4(1H,3H)-dione

: 191982-12-4
(6aR,9aS)-2-propyl-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylmethyl)cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one

Guidance literature:: Multi-step reaction with 4 steps

1: 1-ethyl-3-<3-dimethylamino)propyl>carbodiimide hydrochloride, DMAP / dimethylformamide

2: POCl₃ / Heating

3: iPrNEt, NMP

4: SOCl₂ / CH₂Cl₂

With 1-methyl-pyrrolidin-2-one; dmap; thionyl chloride; N-isopropylethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trichlorophosphate; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/S0960-894X(98)00681-7

Reference yield:

: 930-45-0,33092-86-3,33092-90-9,57070-95-8,59260-76-3,68327-03-7,89381-13-5,135969-63-0
(1R,2R)-2-aminocyclopentanol

: 191982-12-4
(6aR,9aS)-2-propyl-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylmethyl)cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: iPrNEt, NMP

2: SOCl₂ / CH₂Cl₂

With 1-methyl-pyrrolidin-2-one; thionyl chloride; N-isopropylethylamine; In dichloromethane;
DOI:10.1016/S0960-894X(98)00681-7