1,4-Dihydro-9h-imidazo[1,2-a]purin-9-one

Base Information

• Chemical Name: 1,4-Dihydro-9h-imidazo[1,2-a]purin-9-one
• CAS No.: 56287-13-9
• Molecular Formula: C₇H₅N₅O
• Molecular Weight: 175.15
• DSSTox Substance ID: DTXSID60204825
• Nikkaji Number: J669.054H
• Wikidata: Q83078290
• Mol file: 56287-13-9.mol

Synonyms:1,(N2)-ethenoguanine;1,N2-epsilonG nucleobase

Chemical Property of 1,4-Dihydro-9h-imidazo[1,2-a]purin-9-one

Chemical Property:

• Vapor Pressure: 1.76E-23mmHg at 25°C
• Boiling Point: 767.7°Cat760mmHg
• Flash Point: 418.1°C
• PSA: 78.84000
• Density: 2.02g/cm³
• LogP: -0.10110
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 175.04940980
• Heavy Atom Count: 13
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN2C(=O)C3=C(NC2=N1)N=CN3

Technology Process of 1,4-Dihydro-9h-imidazo[1,2-a]purin-9-one

There total 8 articles about 1,4-Dihydro-9h-imidazo[1,2-a]purin-9-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: 84.0%

4-(imidazol-2'-yl)-5-imidazolecarboxamide hydrochloride (73971-14-9) → 1,N2-ethenoguanine (56287-13-9)

Guidance literature:

With sodium hydroxide; for 1h; Heating;

DOI:10.1021/jo01305a031

Reference yield:

2-Chloro-oxirane (7763-77-1) → N2,3-ethenoguanine (62962-42-9) + 3H,5H,9H-imidazo[1,2-a]purin-9-one (56287-13-9) + 3-(2-deoxy-β-D-erythro-pentofuranosyl)-3,5,6,7-tetrahydro-7-hydroxy-9H-imidazo[1,2-a]purin-9-one + 5,6,7,9-tetrahydro-7-hydroxy-9-oxoimidazo[1,2-a]purine

Guidance literature:

With N-ethylmorpholine acetate buffer; pH=7.8;

DOI:10.1021/tx960124i

Reference yield:

3-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,5-dihydro-9H-imidazo[1,2-a]purin-9-one (62462-38-8) → 3H,5H,9H-imidazo[1,2-a]purin-9-one (56287-13-9)

Guidance literature:

With hydrogenchloride; In water; at 80 ℃; for 8h;

DOI:10.1021/tx0002076

upstream raw materials:

4-(imidazol-2'-yl)-5-imidazolecarboxamide hydrochloride

4-guanidino-5-imidazolecarboxamide

4-<(S-methylisothiocarbamoyl)amino>-5-imidazolecarboxamide

3-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,5-dihydro-9H-imidazo[1,2-a]purin-9-one

Downstream raw materials:

1,N²-etheno-2′-deoxyguanosine

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