Propanedioic acid, [2-(2-amino-9H-purin-9-yl)ethyl]-, diethyl ester

Base Information

Chemical Name:Propanedioic acid, [2-(2-amino-9H-purin-9-yl)ethyl]-, diethyl ester
CAS No.:122497-22-7
Molecular Formula:C14H19N5O4
Molecular Weight:321.336
Hs Code.:
DSSTox Substance ID:DTXSID80433236
Nikkaji Number:J2.646.595H
Wikidata:Q82247365
Mol file:122497-22-7.mol

Synonyms:122497-22-7;Diethyl 2-[2-(2-aminopurin-9-yl)ethyl]propanedioate;Propanedioic acid, [2-(2-amino-9H-purin-9-yl)ethyl]-, diethyl ester;Propanedioic acid, 2-[2-(2-amino-9H-purin-9-yl)ethyl]-, 1,3-diethyl ester;SCHEMBL3156963;DTXSID80433236;1,3-diethyl 2-[2-(2-amino-9H-purin-9-yl)ethyl]propanedioate;2-[2-(2-Amino-9H-purine-9-yl)ethyl]malonic acid diethyl ester

Suppliers and Price of Propanedioic acid, [2-(2-amino-9H-purin-9-yl)ethyl]-, diethyl ester

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 6 raw suppliers

Chemical Property of Propanedioic acid, [2-(2-amino-9H-purin-9-yl)ethyl]-, diethyl ester

Chemical Property:

XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:321.14370410
Heavy Atom Count:23
Complexity:404

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(CCN1C=NC2=CN=C(N=C21)N)C(=O)OCC

Technology Process of Propanedioic acid, [2-(2-amino-9H-purin-9-yl)ethyl]-, diethyl ester

There total 2 articles about Propanedioic acid, [2-(2-amino-9H-purin-9-yl)ethyl]-, diethyl ester 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: 44.7%

: 71170-82-6
triethyl 3-bromopropane-1,1,1-tricarboxylate

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

: 122497-22-7
diethyl 2-(2-(2-aminopurine-9-yl)ethyl)malonate

Guidance literature:: triethyl 3-bromopropane-1,1,1-tricarboxylate; 2-Amino-6-chloropurin; With potassium carbonate; N,N-dimethyl-formamide; at 50 - 55 ℃; for 48h;

With palladium 10% on activated carbon; ammonium formate; In methanol; at 50 - 55 ℃; for 2h;

With sodium ethanolate; In ethanol; at 15 - 30 ℃; for 3h;

Reference yield:

: 71170-82-6
triethyl 3-bromopropane-1,1,1-tricarboxylate

: 122497-22-7
diethyl 2-(2-(2-aminopurine-9-yl)ethyl)malonate

Guidance literature:: Multi-step reaction with 3 steps

1: 61 percent / K₂CO₃ / dimethylformamide / 16 h / 40 °C

2: 98 percent / HCO₂NH₄ / Pd-C / methanol / 2 h / Heating

3: 78 percent / Na, EtOH / 1 h / Ambient temperature

With ethanol; ammonium formate; sodium; potassium carbonate; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;
DOI:10.1080/07328319608002029

Reference yield:

: 122497-22-7
diethyl 2-(2-(2-aminopurine-9-yl)ethyl)malonate

: 104227-87-4
9-(4-acetoxy-3-acetoxymethylbutyl)-2-aminopurine

Guidance literature:: Multi-step reaction with 2 steps

1: methanol; sodium tetrahydroborate / dichloromethane / 2.5 h / 20 °C

2: dmap; triethylamine / dichloromethane / 12 h / 20 °C

With methanol; dmap; sodium tetrahydroborate; triethylamine; In dichloromethane;
DOI:10.3987/COM-08-11435