O-Desmethylangolensin

Base Information

• Chemical Name: O-Desmethylangolensin
• CAS No.: 21255-69-6
• Molecular Formula: C15H14 O4
• Molecular Weight: 258.274
• Hs Code.: 2914501900
• European Community (EC) Number: 803-266-3
• UNII: SCY1S10OK4
• DSSTox Substance ID: DTXSID40873154
• Nikkaji Number: J607.615G
• Wikipedia: O-Desmethylangolensin
• Wikidata: Q27160940
• Metabolomics Workbench ID: 38535
• Mol file: 21255-69-6.mol

Synonyms:O-desmethylangolensin

Chemical Property of O-Desmethylangolensin

Chemical Property:

• Vapor Pressure: 5.76E-10mmHg at 25°C
• Boiling Point: 483.3°Cat760mmHg
• Flash Point: 260.2°C
• PSA: 77.76000
• Density: 1.329g/cm³
• LogP: 2.78980
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methsnol (Slightly)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 258.08920892
• Heavy Atom Count: 19
• Complexity: 309

Purity/Quality:

98% ^*data from raw suppliers

1-(2,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)O)C(=O)C2=C(C=C(C=C2)O)O
• Uses: 1-(2,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one is an antioxidant and also has anti cancer effects on human breast cancer MCF-7 cells and Hep3B human hepatocellular carcinoma cells.

Technology Process of O-Desmethylangolensin

There total 10 articles about O-Desmethylangolensin 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%

1-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)propan-1-one (4842-52-8,95334-79-5) → O-desmethylangolensin (21255-69-6)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 - 20 ℃; for 24h;

DOI:10.5012/jkcs.2014.58.6.569

Reference yield: 81.0%

2-(4-Hydroxy-phenyl)-propionic acid (938-96-5) + recorcinol (108-46-3) → O-desmethylangolensin (21255-69-6)

Guidance literature:

With boron trifluoride diethyl etherate; In N,N-dimethyl-formamide; at 120 ℃; for 0.166667h;

DOI:10.1248/cpb.57.346

Reference yield: 42.0%

daidzein (486-66-8) → O-desmethylangolensin (21255-69-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 24h; Heating;

DOI:10.1039/a904946k

upstream raw materials:

daidzein

2-(4-Hydroxy-phenyl)-propionic acid

recorcinol

4-Methoxypropiophenone

Downstream raw materials:

1-(2,4-dihydroxyphenyl-3,5-d2)-2-(4-hydroxyphenyl-3,5-d2)propan-1-one-2-d1

1-(2-Hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-one

angolensin

C₁₅H₁₁⁽²⁾H₃O₄