Acetamide, N-(4-(2-(8-cyclopentyl-1,2,6,7-tetrahydro-2,6-dioxo-1-propyl-3H-purin-3-yl)ethyl)phenyl)-

Base Information

Chemical Name:Acetamide, N-(4-(2-(8-cyclopentyl-1,2,6,7-tetrahydro-2,6-dioxo-1-propyl-3H-purin-3-yl)ethyl)phenyl)-
CAS No.:149744-75-2
Molecular Formula:C₂₃H₂₉N₅O₃
Molecular Weight:423.515
Hs Code.:
DSSTox Substance ID:DTXSID00164378
Wikidata:Q83033459
ChEMBL ID:CHEMBL421526
Mol file:149744-75-2.mol

Synonyms:149744-75-2;Acetamide, N-(4-(2-(8-cyclopentyl-1,2,6,7-tetrahydro-2,6-dioxo-1-propyl-3H-purin-3-yl)ethyl)phenyl)-;3-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine;CHEMBL421526;N-[4-[2-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)ethyl]phenyl]acetamide;N-(4-(2-(8-Cyclopentyl-2,6-dioxo-1-propyl-1H-purin-3(2H,6H,9H)-yl)ethyl)phenyl)acetamide;SCHEMBL9402220;DTXSID00164378;XOFKHHZMYBONCM-UHFFFAOYSA-N;BDBM50231015;LS-8774;N-{4-[2-(8-cyclopentyl-2,6-dioxo-1-propyl-2,3,6,9-tetrahydro-1H-purin-3-yl)ethyl]phenyl}acetamide

Suppliers and Price of Acetamide, N-(4-(2-(8-cyclopentyl-1,2,6,7-tetrahydro-2,6-dioxo-1-propyl-3H-purin-3-yl)ethyl)phenyl)-

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 Acetamide, N-(4-(2-(8-cyclopentyl-1,2,6,7-tetrahydro-2,6-dioxo-1-propyl-3H-purin-3-yl)ethyl)phenyl)-

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：105.27000
Density:1.276g/cm³
LogP:3.80450
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:423.22703980
Heavy Atom Count:31
Complexity:672

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCC4=CC=C(C=C4)NC(=O)C

Technology Process of Acetamide, N-(4-(2-(8-cyclopentyl-1,2,6,7-tetrahydro-2,6-dioxo-1-propyl-3H-purin-3-yl)ethyl)phenyl)-

There total 10 articles about Acetamide, N-(4-(2-(8-cyclopentyl-1,2,6,7-tetrahydro-2,6-dioxo-1-propyl-3H-purin-3-yl)ethyl)phenyl)- 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: 63.0%

: 108-24-7
acetic anhydride

: 116370-30-0
[125I]-BW-A 844U

: 149744-75-2
N-{4-[2-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-ethyl]-phenyl}-acetamide

Guidance literature:: With dmap; triethylamine; for 2h;
DOI:10.1021/jm00069a009

Reference yield:

: 24954-67-4
2-(p-nitrophenyl)ethylamine

: 149744-75-2
N-{4-[2-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-ethyl]-phenyl}-acetamide

Guidance literature:: Multi-step reaction with 10 steps

1: 90 percent / toluene / 2 h / Ambient temperature

2: 20 percent / acetic anhydride / 2 h / 75 °C

3: 90 percent / 1N aq. NaOH / 0.5 h / 75 °C

4: 87 percent / H₂ / 10percent Pd/C / 8 h

5: 98 percent / NaHCO₃ / tetrahydrofuran; H₂O; toluene / 0.5 h

6: 82 percent / NaNO₂, aq. HCl / ethanol / 0.5 h / 30 °C

7: 86 percent / Na₂S₂O₄ / ethanol; H₂O / 0.5 h

8: 1-ethyl-2-<3-(dimethylamino)propyl>carbodiimide hydrochloride (WSC*HCl) / dioxane; H₂O / 18 h

9: 2N aq. NaOH / tetrahydrofuran / 1 h / Heating

10: 63 percent / 4-(dimethylamino)pyridine, triethylamine / 2 h

With hydrogenchloride; dmap; sodium hydroxide; sodium dithionite; hydrogen; acetic anhydride; sodium hydrogencarbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; sodium nitrite; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; ethanol; water; toluene;
DOI:10.1021/jm00069a009

Reference yield:

: 149340-93-2
1-(4-nitrophenethyl)-3-propylurea

: 149744-75-2
N-{4-[2-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-ethyl]-phenyl}-acetamide

Guidance literature:: Multi-step reaction with 9 steps

1: 20 percent / acetic anhydride / 2 h / 75 °C

2: 90 percent / 1N aq. NaOH / 0.5 h / 75 °C

3: 87 percent / H₂ / 10percent Pd/C / 8 h

4: 98 percent / NaHCO₃ / tetrahydrofuran; H₂O; toluene / 0.5 h

5: 82 percent / NaNO₂, aq. HCl / ethanol / 0.5 h / 30 °C

6: 86 percent / Na₂S₂O₄ / ethanol; H₂O / 0.5 h

7: 1-ethyl-2-<3-(dimethylamino)propyl>carbodiimide hydrochloride (WSC*HCl) / dioxane; H₂O / 18 h

8: 2N aq. NaOH / tetrahydrofuran / 1 h / Heating

9: 63 percent / 4-(dimethylamino)pyridine, triethylamine / 2 h

With hydrogenchloride; dmap; sodium hydroxide; sodium dithionite; hydrogen; acetic anhydride; sodium hydrogencarbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; sodium nitrite; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; ethanol; water; toluene;
DOI:10.1021/jm00069a009