6,8-Dibromoflavone

Base Information

• Chemical Name: 6,8-Dibromoflavone
• CAS No.: 42079-81-2
• Molecular Formula: C15H8Br2O2
• Molecular Weight: 380.035
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID90359711
• Nikkaji Number: J863.007K
• Wikidata: Q82141022
• Metabolomics Workbench ID: 74480
• ChEMBL ID: CHEMBL457254
• Mol file: 42079-81-2.mol

Synonyms:6,8-dibromoflavone;42079-81-2;6,8-dibromo-2-phenylchromen-4-one;6,8-dibromo-2-phenyl-4H-chromen-4-one;CHEMBL457254;SCHEMBL4650589;DTXSID90359711;MFCD01630870;AKOS024286568

Chemical Property of 6,8-Dibromoflavone

Chemical Property:

• Vapor Pressure: 5.11E-09mmHg at 25°C
• Melting Point: 169-175°C
• Refractive Index: 1.675
• Boiling Point: 470.3°Cat760mmHg
• Flash Point: 238.3°C
• PSA: 30.21000
• Density: 1.795g/cm³
• LogP: 4.98500
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 379.88706
• Heavy Atom Count: 19
• Complexity: 388

Purity/Quality:

98.5% ^*data from raw suppliers

6,8-DIBROMOFLAVONE 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)C2=CC(=O)C3=C(O2)C(=CC(=C3)Br)Br

Technology Process of 6,8-Dibromoflavone

There total 8 articles about 6,8-Dibromoflavone 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: 82.0%

1-(3,5-dibromo-2-hydroxyphenyl)-3-phenylpropane-1,3-dione → 6,8-dibromo-2-phenyl-4H-chromen-4-one (42079-81-2)

Guidance literature:

With hydrogenchloride; acetic acid; for 14h; Heating;

DOI:10.1021/jo061008f

Reference yield: 80.0%

3',5'-dibromo-2'-hydroxychalcone (15482-67-4) → 6,8-dibromo-2-phenyl-4H-chromen-4-one (42079-81-2)

Guidance literature:

With iodine; In dimethyl sulfoxide; at 180 ℃; for 0.25h; Inert atmosphere;

DOI:10.1055/s-0035-1560633

Reference yield: 53.0%

4,4'-(phenylmethylene)bismorpholine (6425-08-7) + 2-bromo-1-(3.5-dibromo-2-hydroxyphenyl)ethan-1-one → 6,8-dibromo-2-phenyl-4H-chromen-4-one (42079-81-2)

Guidance literature:

In methanol; for 0.166667h; Heating;

DOI:10.1016/S0040-4020(97)00628-5

upstream raw materials:

3',5'-dibromo-2'-hydroxychalcone

4,4'-(phenylmethylene)bismorpholine

3,5-dibromo-2-hydroxyacetophenone

benzoyl chloride