4'-Bromoflavone

Base Information

• Chemical Name: 4'-Bromoflavone
• CAS No.: 20525-20-6
• Molecular Formula: C15H9BrO2
• Molecular Weight: 301.139
• Hs Code.: 2914700090
• UNII: 6TC8H54C8T
• DSSTox Substance ID: DTXSID60174519
• Nikkaji Number: J674.963A
• Wikidata: Q27265495
• NCI Thesaurus Code: C63748
• Pharos Ligand ID: NDFTMN3R2LJK
• Metabolomics Workbench ID: 130063
• ChEMBL ID: CHEMBL294099
• Mol file: 20525-20-6.mol

Synonyms:4'-bromoflavone

Chemical Property of 4'-Bromoflavone

Chemical Property:

• Vapor Pressure: 8.07E-07mmHg at 25°C
• Melting Point: 174-176 °C
• Refractive Index: 1.656
• Boiling Point: 406.6 °C at 760 mmHg
• Flash Point: 199.7 °C
• PSA: 30.21000
• Density: 1.54 g/cm³
• LogP: 4.22250
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly, Sonicated)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 299.97859
• Heavy Atom Count: 18
• Complexity: 356

Purity/Quality:

98%min ^*data from raw suppliers

4’-Bromoflavone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)Br
• Uses: 4'-Bromoflavone is a 4'-Bromoflavone aryl hydrocarbon hydroxylase inducer,it is used as a phase II detoxifying enzymes, quninone reductase and glutathione S-transferase in cell culture and in different tissues of rats.

Technology Process of 4'-Bromoflavone

There total 41 articles about 4'-Bromoflavone 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: 92.0%

C18H15Br3O2 (1657006-79-5) → 4'-bromoflavone (20525-20-6)

Guidance literature:

With iodine; In dimethyl sulfoxide; at 130 ℃; for 0.5h;

DOI:10.4067/S0717-97072014000100009

Reference yield: 91.0%

4-bromo-2'-hydroxylchalcone (65786-14-3,16635-18-0) → 4'-bromoflavone (20525-20-6)

Guidance literature:

With ammonium iodide; In neat (no solvent); at 120 ℃; for 1h;

DOI:10.2298/JSC120901119K

Reference yield: 90.0%

2-(4-bromophenyl)-2H-chromene (1393641-92-3) → 4'-bromoflavone (20525-20-6)

Guidance literature:

With tert.-butylhydroperoxide; copper(ll) bromide; In decane; toluene; at 80 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.1016/j.tetlet.2016.03.006

upstream raw materials:

2-(4-bromophenyl)chroman-4-one

4-bromo-2'-hydroxychalcone dibromide

(2E)-3-(4-bromophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one

sodium thiophenolate

Downstream raw materials:

2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-chromen-4-one

2-([1,1′-biphenyl]-4-yl)-4H-chromen-4-one

diethyl [2-(4-bromophenyl)-4-oxo-4H-chromen-3-yl]phosphonate

2-(4'-fluoro-[1,1'-biphenyl]-4-yl)-4H-chromen-4-one

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