1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-(2-hydroxyethyl)-1-methyl-7-phenyl-

Base Information

• Chemical Name: 1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-(2-hydroxyethyl)-1-methyl-7-phenyl-
• CAS No.: 85615-11-8
• Molecular Formula: C₁₆H₁₅N₅O₃
• Molecular Weight: 325.327
• DSSTox Substance ID: DTXSID30234851
• Nikkaji Number: J62.604J
• Wikidata: Q83116700
• ChEMBL ID: CHEMBL1396229
• Mol file: 85615-11-8.mol

Synonyms:1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-(2-hydroxyethyl)-1-methyl-7-phenyl-;8-(2-Hydroxyethyl)-1-methyl-7-phenyl-1H-imidazo(2,1-f)purine-2,4(3H,8H)-dione;85615-11-8;8-(2-Hydroxyethyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione;Oprea1_045018;Oprea1_517305;CHEMBL1396229;DTXSID30234851;HMS1795I15;CCG-57178;MFCD00617988;AKOS000576373;NCGC00098322-01;LS-80077;SR-01000359171;SR-01000359171-1;Z56775410

Chemical Property of 1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-(2-hydroxyethyl)-1-methyl-7-phenyl-

Chemical Property:

• Density: 1.55g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 325.11748936
• Heavy Atom Count: 24
• Complexity: 524

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)CCO)C4=CC=CC=C4

Technology Process of 1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-(2-hydroxyethyl)-1-methyl-7-phenyl-

There total 2 articles about 1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-(2-hydroxyethyl)-1-methyl-7-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%

3-Methyl-7-(2-oxo-2-phenyl-ethyl)-3,7-dihydro-purine-2,6-dione (85592-02-5) + ethanolamine (141-43-5) → 8-β-hydroxyethyl-3-methyl-7-phenylimidazo[1,2-f]xanthine (85615-11-8)

Guidance literature:

In N,N-dimethyl-formamide; Heating;

DOI:10.1007/BF00765215

Reference yield: 36.9%

8-bromo-3-methyl-7-phenacylmethylxanthine (101072-04-2) + ethanolamine (141-43-5) → 8-β-hydroxyethyl-3-methyl-7-phenylimidazo[1,2-f]xanthine (85615-11-8)

Guidance literature:

In water; at 60 ℃; for 3h; Reflux;

DOI:10.1007/s10600-013-0771-1

Reference yield: 67.0%

8-β-hydroxyethyl-3-methyl-7-phenylimidazo[1,2-f]xanthine (85615-11-8) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 8-(2-Hydroxy-ethyl)-1-methyl-3-oxiranylmethyl-7-phenyl-1H,8H-imidazo[2,1-f]purine-2,4-dione (85592-17-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 0.5h; Heating;

DOI:10.1007/BF00765215

upstream raw materials:

3-Methyl-7-(2-oxo-2-phenyl-ethyl)-3,7-dihydro-purine-2,6-dione

ethanolamine

8-bromo-3-methyl-7-phenacylmethylxanthine

Downstream raw materials:

8-(2-Hydroxy-ethyl)-3-(2-hydroxy-propyl)-1-methyl-7-phenyl-1H,8H-imidazo[2,1-f]purine-2,4-dione

8-(2-Hydroxy-ethyl)-1-methyl-3-oxiranylmethyl-7-phenyl-1H,8H-imidazo[2,1-f]purine-2,4-dione