Benzquercin

Base Information

• Chemical Name: Benzquercin
• CAS No.: 13157-90-9
• Molecular Formula: C50H40 O7
• Molecular Weight: 752.863
• UNII: 499L7I0905
• DSSTox Substance ID: DTXSID70157116
• Nikkaji Number: J8.091H
• Wikidata: Q27259265
• NCI Thesaurus Code: C74267
• ChEMBL ID: CHEMBL2103922
• Mol file: 13157-90-9.mol

Synonyms:benzquercin;benzquercine

Chemical Property of Benzquercin

Chemical Property:

• Vapor Pressure: 3.87E-34mmHg at 25°C
• Melting Point: 123-125°
• Boiling Point: 911.8°Cat760mmHg
• Flash Point: 360.9°C
• PSA: 76.36000
• Density: 1.3g/cm³
• LogP: 11.35500
• XLogP3: 10.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 16
• Exact Mass: 752.27740361
• Heavy Atom Count: 57
• Complexity: 1220

Purity/Quality:

99% ^*data from raw suppliers

BENZQUERCIN 95.00% ^*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=C(C=C(C=C2)C3=C(C(=O)C4=C(O3)C=C(C=C4OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

Technology Process of Benzquercin

There total 6 articles about Benzquercin 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: 95.0%

quercetol (117-39-5,74893-81-5) + benzyl chloride (100-44-7) → 2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)chromen-4-one (13157-90-9)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate; at 20 ℃; for 35h; Inert atmosphere;

DOI:10.1055/s-0030-1258310

Reference yield: 95.0%

quercetol (117-39-5,74893-81-5) + benzyl bromide (100-39-0) → 2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)chromen-4-one (13157-90-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 72h;

DOI:10.1002/chem.201701812

Reference yield: 77.3%

quercetol (117-39-5,74893-81-5) + benzyl bromide (100-39-0) → 3,7-bis(benzyloxy)-2-[3,4-bis(benzyloxy)phenyl]-5-hydroxy-4H-1-benzopyran-4-one (1486-63-1) + 2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)chromen-4-one (13157-90-9)

Guidance literature:

quercetol; With potassium hydroxide; In dimethyl sulfoxide; for 0.333333h;

benzyl bromide; In dimethyl sulfoxide; at 20 - 22 ℃; for 4h;

DOI:10.1134/S1070363214090126

upstream raw materials:

quercetol

benzyl bromide

benzyl chloride

Downstream raw materials:

2-(benzyloxy)-1-(2,4-bisbenzyloxy-6-hydroxyphenyl)ethanone

3,4-bis(benzyloxy)benzoic acid

C₇₆⁽¹³⁾CH₇₀O₁₃

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