Okanin 3,4,3',4'-tetramethyl ether

Base Information

• Chemical Name: Okanin 3,4,3',4'-tetramethyl ether
• CAS No.: 57062-90-5
• Molecular Formula: C19H20 O6
• Molecular Weight: 344.364
• NSC Number: 91848
• DSSTox Substance ID: DTXSID00418883
• Nikkaji Number: J687.362F
• Wikidata: Q76305918
• Metabolomics Workbench ID: 26659
• ChEMBL ID: CHEMBL316850
• Mol file: 57062-90-5.mol

Synonyms:MLS002695095;Okanin 3,4,3',4'-tetramethyl ether;57062-90-5;NSC91848;CHEMBL316850;DTXSID00418883;LMPK12120183;NSC-91848;2'-Hydroxy-3,3',4,4'-tetramethoxychalcone

Chemical Property of Okanin 3,4,3',4'-tetramethyl ether

Chemical Property:

• Vapor Pressure: 4.01E-12mmHg at 25°C
• Boiling Point: 536.5°C at 760 mmHg
• Flash Point: 191.3°C
• Density: 1.211g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 344.12598835
• Heavy Atom Count: 25
• Complexity: 451

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=CC(=O)C2=C(C(=C(C=C2)OC)OC)O)OC
• Isomeric SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C(=C(C=C2)OC)OC)O)OC

Technology Process of Okanin 3,4,3',4'-tetramethyl ether

There total 6 articles about Okanin 3,4,3',4'-tetramethyl ether 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: 98.0%

2',3',4',3,4-pentamethoxychalcone → 2'-hydroxy-3',4',3,4-tetramethoxychalcone (57062-90-5)

Guidance literature:

With aluminum (III) chloride; In acetonitrile; at 80 ℃; for 4h; Inert atmosphere;

Reference yield:

2',3',4'-trimethoxyacetophenone (13909-73-4) → 2'-hydroxy-3',4',3,4-tetramethoxychalcone (57062-90-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water; ethanol / 10 h / 20 °C

2: aluminum (III) chloride / acetonitrile / 4 h / 80 °C / Inert atmosphere

With aluminum (III) chloride; sodium hydroxide; In ethanol; water; acetonitrile;

Reference yield:

3,4-dimethoxy-benzaldehyde (120-14-9) → 2'-hydroxy-3',4',3,4-tetramethoxychalcone (57062-90-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water; ethanol / 10 h / 20 °C

2: aluminum (III) chloride / acetonitrile / 4 h / 80 °C / Inert atmosphere

With aluminum (III) chloride; sodium hydroxide; In ethanol; water; acetonitrile;

upstream raw materials:

2'-hydroxy-3',4'-dimethoxyacetophenone

3,4-dimethoxy-benzaldehyde

2',3',4'-trihydroxyacetophenone

2',3',4'-trimethoxyacetophenone

Refernces