5,7-Bis-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-hydroxy-4H-chromen-4-one

Base Information

• Chemical Name: 5,7-Bis-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-hydroxy-4H-chromen-4-one
• CAS No.: 23405-70-1
• Molecular Formula: C36H28O6
• Molecular Weight: 556.615
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID60460742
• Nikkaji Number: J2.160.636G
• Wikidata: Q82284889
• Mol file: 23405-70-1.mol

Synonyms:23405-70-1;5,7-Bis-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-hydroxy-4H-chromen-4-one;3-hydroxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one;5,7-Bis(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-hydroxy-4H-chromen-4-one;5,7-bis(benzyloxy)-2-[4-(benzyloxy)phenyl]-3-hydroxy-4H-chromen-4-one;4H-1-Benzopyran-4-one, 3-hydroxy-5,7-bis(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-;SCHEMBL4264761;DTXSID60460742;BBCSDQWALJWPNC-UHFFFAOYSA-N;AKOS027447623;FT-0663198;3-hydroxy-5, 7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one

Chemical Property of 5,7-Bis-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-hydroxy-4H-chromen-4-one

Chemical Property:

• Vapor Pressure: 4.92E-24mmHg at 25°C
• Melting Point: 152-154°C
• Boiling Point: 756.2oC at 760 mmHg
• PKA: 8.07±0.20(Predicted)
• Flash Point: 244oC
• PSA: 78.13000
• Density: 1.299g/cm3
• LogP: 7.90260
• Storage Temp.: Refrigerator
• Solubility.: Chlorofrom (Sparingly), DMSO
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 556.18858861
• Heavy Atom Count: 42
• Complexity: 875

Purity/Quality:

97% ^*data from raw suppliers

5,7-Bis-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-hydroxy-4H-chromen-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=O)C4=C(O3)C=C(C=C4OCC5=CC=CC=C5)OCC6=CC=CC=C6)O

Technology Process of 5,7-Bis-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-hydroxy-4H-chromen-4-one

There total 17 articles about 5,7-Bis-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-hydroxy-4H-chromen-4-one 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: 78.0%

5,7-bis(benzyloxy)-2-(4-(benzyloxy)phenyl)-4H-chromen-4-one (96333-59-4) → 5,7-bis(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-hydroxy-4H-chromen-4-one (23405-70-1)

Guidance literature:

5,7-bis(benzyloxy)-2-(4-(benzyloxy)phenyl)-4H-chromen-4-one; With 3,3-dimethyldioxirane; In dichloromethane; acetone; at 0 ℃;

toluene-4-sulfonic acid; In dichloromethane; at 0 ℃; for 0.5h;

Reference yield: 60.0%

3-(4-benzyloxyphenyl)-1-(2,4-dibenzyloxy-6-hydroxyphenyl)prop-2-en-1-one (23243-67-6) → 5,7-bis(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-hydroxy-4H-chromen-4-one (23405-70-1)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In ethanol; at 0 - 4 ℃;

Reference yield:

C43H32O7 → 5,7-bis(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-hydroxy-4H-chromen-4-one (23405-70-1)

Guidance literature:

C₄₃H₃₂O₇; With sodium methylate; In methanol; dichloromethane; at 20 ℃; for 10h;

In methanol; dichloromethane;

DOI:10.1021/jo1014189

upstream raw materials:

5,7-bis(benzyloxy)-2-(4-(benzyloxy)phenyl)-4H-chromen-4-one

5,7-Dihydroxy-2-(4-hydroxy-phenyl)-chroman-4-on

benzyl bromide

(E)-1-(2,4-bis(benzyloxy)-6-hydroxyphenyl)-3-(4-(benzyloxy)phenyl)prop-2-en-1-one

Downstream raw materials:

5,7-bis(benzyloxy)-2-(4-benzyloxyphenyl)-3-[3,4-di-O-acetyl-2-O-benzyl-α-L-rhamnopyranosyloxy]-4H-chromen-4-one

(2S,3R,4R,5S,6S)-2-((5,7-bis(benzyloxy)-2-(4-(benzyloxy)phenyl)-4-oxo-4H-chromen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triyl triacetate

3-((2S,6S)-5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yloxy)-5,7-bis(benzyloxy)-2-(4-(benzyloxy)phenyl)-4H-chromen-4-one

Kaempferol-3-O-(2,3,4-tri-O-acetyl-alpha-L-rhamnopyranoside)