Visnaginone

Base Information

• Chemical Name: Visnaginone
• CAS No.: 484-27-5
• Molecular Formula: C11H10O4
• Molecular Weight: 206.198
• UNII: 9ZQ0A5SY7A
• DSSTox Substance ID: DTXSID50197510
• Nikkaji Number: J1.026.382D
• Wikidata: Q83070352
• ChEMBL ID: CHEMBL422416
• Mol file: 484-27-5.mol

Synonyms:Visnaginone;484-27-5;1-(6-Hydroxy-4-methoxy-5-benzofuranyl)ethanone;Ethanone, 1-(6-hydroxy-4-methoxy-5-benzofuranyl)-;9ZQ0A5SY7A;UNII-9ZQ0A5SY7A;CHEMBL422416;1-(6-Hydroxy-4-methoxybenzofuran-5-yl)ethan-1-one;KETONE, 6-HYDROXY-4-METHOXY-5-BENZOFURANYL METHYL;Visnaginon;DTXSID50197510;JGNYBYBMPAOPJD-UHFFFAOYSA-N;BDBM50145057;1-(6-Hydroxy-4-methoxy-benzofuran-5-yl)-ethanone

Chemical Property of Visnaginone

Chemical Property:

• Vapor Pressure: 0.113mmHg at 25°C
• Melting Point: 108-109 °C
• Boiling Point: 213.4°C at 760 mmHg
• PKA: 9.15±0.40(Predicted)
• Flash Point: 82.9°C
• PSA: 59.67000
• Density: 1.286g/cm³
• LogP: 2.34960
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 206.05790880
• Heavy Atom Count: 15
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C2=C(C=C1O)OC=C2)OC

Technology Process of Visnaginone

There total 8 articles about Visnaginone 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: 92.0%

visnagin (82-57-5) → 5-acetyl-4-methoxybenzofuran-6-ol (484-27-5)

Guidance literature:

With potassium hydroxide; In water monomer; Reflux;

DOI:10.1002/ejoc.201700471

Reference yield:

→ 5-acetyl-4-methoxybenzofuran-6-ol (484-27-5)

Guidance literature:

With palladium on activated charcoal; at 150 ℃;

DOI:10.1039/jr9500003195

Reference yield:

visnagin (82-57-5) → 5-acetyl-4-methoxybenzofuran-6-ol (484-27-5) + 6-hydroxy-4-methoxybenzofuran-5-carboxylic acid (88258-42-8)

Guidance literature:

With potassium hydroxide;

DOI:10.1002/hlca.19560390337

upstream raw materials:

visnagin

Downstream raw materials:

1-(6-hydroxy-4-methoxy-benzofuran-5-yl)-3t-(4-hydroxy-3-methoxy-phenyl)-propenone

3t-(4-dimethylamino-phenyl)-1-(6-hydroxy-4-methoxy-benzofuran-5-yl)-propenone

1-{7-[(Dibenzylamino)-methyl]-6-hydroxy-4-methoxy-benzofuran-5-yl}-ethanone

1-[6-Hydroxy-4-methoxy-7-(4-phenyl-piperidin-1-ylmethyl)-benzofuran-5-yl]-ethanone

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