5-Bromo-3-phenylbenzofuran

Base Information

• Chemical Name: 5-Bromo-3-phenylbenzofuran
• CAS No.: 63362-84-5
• Molecular Formula: C14H9 Br O
• Molecular Weight: 273.129
• Hs Code.: 2932999099
• ChEMBL ID: CHEMBL4513646
• DSSTox Substance ID: DTXSID80605537
• Nikkaji Number: J1.295.341K
• Wikidata: Q82503830
• Mol file: 63362-84-5.mol

Synonyms:5-BROMO-3-PHENYLBENZOFURAN;63362-84-5;5-bromo-3-phenylbenzo[b]furan;5-Bromo-3-phenyl-1-benzofuran;CHEMBL4513646;SCHEMBL11428068;DTXSID80605537;HKXLEIWOSHPMLX-UHFFFAOYSA-N;AB26334;DB-073314

Chemical Property of 5-Bromo-3-phenylbenzofuran

Chemical Property:

• PSA: 13.14000
• LogP: 4.86230
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 271.98368
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=COC3=C2C=C(C=C3)Br

Technology Process of 5-Bromo-3-phenylbenzofuran

There total 7 articles about 5-Bromo-3-phenylbenzofuran 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: 86.0%

2-(4-bromophenoxy)-1-phenylethan-1-one (50685-44-4) → 5-bromo-3-phenylbenzofuran (63362-84-5)

Guidance literature:

With perchloric acid on silica gel; In toluene; for 8h; Reflux;

DOI:10.3987/COM-15-13351

Reference yield: 75.0%

N,N-dimethyl acetamide (127-19-5,116057-81-9) + 5-bromo-2-hydroxybenzophenone (55082-33-2) → 5-bromo-3-phenylbenzofuran (63362-84-5)

Guidance literature:

With 8-quinolinol; oxygen; copper (I) acetate; potassium carbonate; at 140 ℃; for 24h; under 760.051 Torr;

DOI:10.1002/anie.201108513

Reference yield: 35.0%

4-bromo-phenol (106-41-2) + (2-nitroethenyl)benzene (102-96-5) → 5-bromo-3-phenylbenzofuran (63362-84-5)

Guidance literature:

With indium(III) triflate; In 1,2-dichloro-ethane; at 85 - 90 ℃; for 15h;

DOI:10.1002/asia.201000869

upstream raw materials:

2-(4-bromophenoxy)-1-phenylethan-1-one

trimethylsulphonium iodide

5-bromosalicyclaldehyde

sodium 4-bromophenoxide

Downstream raw materials:

5-(α-hydroxyundecyl)-3-phenylbenzofuran

3-phenyl-5-(N-phthalimido)benzofuran