3-Phenylimidazo[1,5-a]quinoxalin-4(5H)-one

Base Information

• Chemical Name: 3-Phenylimidazo[1,5-a]quinoxalin-4(5H)-one
• CAS No.: 531509-85-0
• Molecular Formula: C16H11N3O
• Molecular Weight: 261.283
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30445465
• Nikkaji Number: J3.367.741C
• Wikidata: Q82263878
• Mol file: 531509-85-0.mol

Synonyms:3-Phenylimidazo[1,5-a]quinoxalin-4(5H)-one;531509-85-0;3-PHENYL-5H-IMIDAZO[1,5-A]QUINOXALIN-4-ONE;DTXSID30445465;3-Phenylimidazo[1,5-a]quinoxaline-4(5H)-one

Chemical Property of 3-Phenylimidazo[1,5-a]quinoxalin-4(5H)-one

Chemical Property:

• PSA: 50.42000
• LogP: 3.25510
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 261.090211983
• Heavy Atom Count: 20
• Complexity: 380

Purity/Quality:

98% ^*data from raw suppliers

3-Phenylimidazo[1,5-a]quinoxalin-4(5H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C3C(=O)NC4=CC=CC=C4N3C=N2

Technology Process of 3-Phenylimidazo[1,5-a]quinoxalin-4(5H)-one

There total 17 articles about 3-Phenylimidazo[1,5-a]quinoxalin-4(5H)-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: 90.0%

glycine (56-40-6,18875-39-3,25718-94-9) + 3-benzoylquinoxalin-2(1H)-one (49568-76-5) → 3-phenylimidazo[1,5-a]quionxalin-4(5H)-one (531509-85-0)

Guidance literature:

With sodium acetate; In dimethyl sulfoxide; at 150 ℃; for 4h;

DOI:10.1016/j.tet.2014.11.017

Reference yield: 84.0%

orthoformic acid triethyl ester (122-51-0) + 3-(α-aminobenzyl)quinoxalin-2(1H)-one hydrochloride → 3-phenylimidazo[1,5-a]quionxalin-4(5H)-one (531509-85-0)

Guidance literature:

for 6h; Heating;

DOI:10.1023/A:1023463117204

Reference yield: 70.0%

2-oxo-3-(α-thiocyanobenzyl)-1,2-dihydroquinoxaline (289704-35-4) → 3-phenylimidazo[1,5-a]quionxalin-4(5H)-one (531509-85-0) + 3-benzoylquinoxalin-2(1H)-one (49568-76-5) + 3-phenylthiazolo[3,4-a]quinoxaline-1,4(5H)-dione

Guidance literature:

With dimethyl sulfoxide; at 135 - 145 ℃; for 1h;

DOI:10.1023/A:1021269602024

upstream raw materials:

orthoformic acid triethyl ester

2-oxo-3-(α-thiocyanobenzyl)-1,2-dihydroquinoxaline

1-mercapto-3-phenylimidazo[1,5-a]quionxalin-4(5H)-one

3-(α-chlorobenzyl)-1,2-dihydroxyquinoxalin-2-one

Downstream raw materials:

3-Phenyl-4,5-dihydro-imidazo[1,5-a]quinoxaline

3-Phenyl-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride

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