Angolensin

Base Information

• Chemical Name: Angolensin
• CAS No.: 642-39-7
• Molecular Formula: C16H16 O4
• Molecular Weight: 272.301
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID90393892
• Nikkaji Number: J12.508C
• Wikidata: Q82192926
• Metabolomics Workbench ID: 27907
• ChEMBL ID: CHEMBL1373918
• Mol file: 642-39-7.mol

Synonyms:Angolensin;642-39-7;1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one;CHEMBL1373918;MEGxp0_001298;SCHEMBL2544863;ACon1_001366;DTXSID90393892;CHEBI:180150;BDBM50102652;LMPK12160054;AKOS022171995;NCGC00095447-01;NCGC00095447-02;XA161653

Chemical Property of Angolensin

Chemical Property:

• PSA: 66.76000
• LogP: 3.09280
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 272.10485899
• Heavy Atom Count: 20
• Complexity: 322

Purity/Quality:

99% ^*data from raw suppliers

1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)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)OC)C(=O)C2=C(C=C(C=C2)O)O
• Uses: 1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one is a metabolite of red clover extract. It was shown to selectively activate ERα/β heterodimers.

Technology Process of Angolensin

There total 7 articles about Angolensin 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: 87.3%

(+/-)-4-O-benzylangolensin (123483-32-9) → angolensin (642-39-7)

Guidance literature:

With hydrogenchloride; acetic acid; for 1h; Heating;

Reference yield: 63.0%

O-desmethylangolensin (21255-69-6) + methyl iodide (74-88-4) → angolensin (642-39-7)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; at 40 ℃; for 84h;

Reference yield: 46.0%

7-Hydroxy-3-(4-methoxy-phenyl)-chromen-4-on (485-72-3) → angolensin (642-39-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/j.ejmech.2013.03.016

upstream raw materials:

(αR)-angolensin

(+/-)-4-O-benzylangolensin

7-Hydroxy-3-(4-methoxy-phenyl)-chromen-4-on

O-desmethylangolensin

Downstream raw materials:

opt.-inakt.-1-(2-Hydroxy-4-methoxy-phenyl)-2-(4-methoxy-phenyl)-propan-1-ol

(+/-)-1-(2,4-Dimethoxy-phenyl)-2-(4-methoxy-phenyl)-propan

(+/-)-1-(2-Hydroxy-4-methoxy-phenyl)-2-(4-methoxy-phenyl)-propan

4.2'.4'-trimethoxy-α-methyl-bibenzylol-(α')