Demethylwedelolactone

Base Information

• Chemical Name: Demethylwedelolactone
• CAS No.: 6468-55-9
• Molecular Formula: C15H8O7
• Molecular Weight: 300.224
• Hs Code.: 2932999099
• UNII: UXN2KXV8BB
• DSSTox Substance ID: DTXSID00214968
• Nikkaji Number: J1.173.724B
• Wikidata: Q72461994
• Metabolomics Workbench ID: 22996
• ChEMBL ID: CHEMBL2089002
• Mol file: 6468-55-9.mol

Synonyms:demethylwedelolactone

Chemical Property of Demethylwedelolactone

Chemical Property:

• Vapor Pressure: 6.6E-12mmHg at 25°C
• Melting Point: 360°C
• Refractive Index: 1.847
• Boiling Point: 531.4 °C at 760 mmHg
• PKA: 7.07±0.20(Predicted)
• Flash Point: 275.2 °C
• PSA: 124.27000
• Density: 1.827 g/cm³
• LogP: 2.51480
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 300.02700259
• Heavy Atom Count: 22
• Complexity: 469

Purity/Quality:

97% ^*data from raw suppliers

Demethylwedelolactone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C2C(=C1O)C3=C(C4=CC(=C(C=C4O3)O)O)C(=O)O2)O
• Uses: 1,3,8,9-Tetrahydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one has anti-cancer properties and inhibits the anchorage-independent growth and suppressed cell motility and cell invasion of MDA-MB-231.

Technology Process of Demethylwedelolactone

There total 6 articles about Demethylwedelolactone 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%

4,5,7-trihydroxycoumarin (17575-26-7) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 1,3,8,9-tetrahydroxybenzofurano[3,2-c]chromen-6-one (6468-55-9)

Guidance literature:

In water; applied potential = 0.9 V;

Reference yield: 84.0%

1,3-diacetoxy-8,9-diisopropyloxy-benzo[4,5]furo[3,2-c]chromen-6-one (1023744-96-8) → 1,3,8,9-tetrahydroxybenzofurano[3,2-c]chromen-6-one (6468-55-9)

Guidance literature:

With boron trichloride; In dichloromethane; at 0 ℃;

DOI:10.1016/j.tet.2008.02.031

Reference yield: 55.0%

4,5,7-trihydroxy-3-(2',4',5'-trihydroxyphenyl)coumarin (113138-94-6) → 1,3,8,9-tetrahydroxybenzofurano[3,2-c]chromen-6-one (6468-55-9)

Guidance literature:

With hydrogenchloride; In methanol; 1.) 0 deg C, 2 h; 2.) reflux, 8 h;

upstream raw materials:

4,5,7-trihydroxycoumarin

benzene-1,2-diol

4,5,7-trihydroxy-3-(2',4',5'-trihydroxyphenyl)coumarin

3,5-dihydroxyphenol

Downstream raw materials:

1,3,8,9-tetraacetoxycoumestan