Pedalitin

Base Information

• Chemical Name: Pedalitin
• CAS No.: 22384-63-0
• Molecular Formula: C16H12 O7
• Molecular Weight: 316.267
• Hs Code.: 2914509090
• UNII: DS9S9Z36F2
• DSSTox Substance ID: DTXSID40176915
• Nikkaji Number: J16.779G
• Wikidata: Q27089369
• Metabolomics Workbench ID: 24314
• ChEMBL ID: CHEMBL476314
• Mol file: 22384-63-0.mol

Synonyms:pedalitin

Chemical Property of Pedalitin

Chemical Property:

• Vapor Pressure: 5.48E-18mmHg at 25°C
• Boiling Point: 659.3°Cat760mmHg
• Flash Point: 251°C
• PSA: 120.36000
• Density: 1.605g/cm³
• LogP: 2.29100
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 316.05830272
• Heavy Atom Count: 23
• Complexity: 491

Purity/Quality:

Analysis control,HPLC≥95% ^*data from raw suppliers

Pedalitin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)O

Technology Process of Pedalitin

There total 3 articles about Pedalitin 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:

6-hydroxyluteolin 5,7,4'-trimethyl ether (25782-20-1) → 5,6,3',4'-tetrahydroxy-7-methoxyflavone (22384-63-0) + 3',4',5,6,7-pentahydroxyflavone (18003-33-3) + 5,6,7,3′-tetrahydroxy-4′-methoxyflavone (57093-49-9)

Guidance literature:

With hydrogenchloride; aluminium trichloride; water; acetonitrile; Yield given. Multistep reaction. Yields of byproduct given; 1) 70 deg C, 48 h, 2) MeOH, reflux, 2-3 h;

DOI:10.1021/jo00038a023

Reference yield:

6-hydroxyluteolin 5,7,3'-trimethyl ether (25782-21-2) → 5,6,3',4'-tetrahydroxy-7-methoxyflavone (22384-63-0) + 4’,5,6-trihydroxy-3’,7-dimethoxyflavone (25782-25-6) + O6-Desmethyljaceosidin (23494-48-6) + 3',4',5,6,7-pentahydroxyflavone (18003-33-3)

Guidance literature:

With hydrogenchloride; aluminium trichloride; water; acetonitrile; Yield given. Multistep reaction. Yields of byproduct given; 1) 70 deg C, 48 h, 2) MeOH, reflux, 2-3 h;

DOI:10.1021/jo00038a023

Reference yield:

→ 5,6,3',4'-tetrahydroxy-7-methoxyflavone (22384-63-0)

Guidance literature:

upstream raw materials:

6-hydroxyluteolin 5,7,3'-trimethyl ether

6-hydroxyluteolin 5,7,4'-trimethyl ether

Downstream raw materials:

Pedalitintetraacetat

6-acetoxy-5-benzyloxy-3',4'-diphenylmethylenedioxy-7-methoxyflavone

5-benzyloxy-3',4'-diphenylmethylenedioxy-6-hydroxy-7-methoxyflavone

6-acetoxy-3',4'-diphenylmethylenedioxy-5-hydroxy-7-methoxyflavone